#1970 - New text entities in KET-format #5414
GitHub Actions / macos-13-x86_64-dotnet_test_report
failed
Mar 5, 2025 in 0s
287 tests run, 278 passed, 0 skipped, 9 failed.
Annotations
Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / macos-13-x86_64-dotnet_test_report
formats.cdx
[FAILED]
Raw output
Diff:
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Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / macos-13-x86_64-dotnet_test_report
formats.cdx_export
[FAILED]
Raw output
Diff:
- issue_1777:success
+ issue_1777:failed
- agents:success
+ agents:failed
- AlcoholOxidation_Rxn1:success
+ AlcoholOxidation_Rxn1:failed
- AlcoholOxidation_Rxn1:success
+ AlcoholOxidation_Rxn1:failed
- AlcoholOxidation_Rxn2:success
+ AlcoholOxidation_Rxn2:failed
- Amidation_Rxn1:success
+ Amidation_Rxn1:failed
- Amidation_Rxn2:success
+ Amidation_Rxn2:failed
- BuchwaldHartwig_Rxn1:success
+ BuchwaldHartwig_Rxn1:failed
- BuchwaldHartwig_Rxn2:success
+ BuchwaldHartwig_Rxn2:failed
- CarbonylReduction_Rxn1:success
+ CarbonylReduction_Rxn1:failed
- CarbonylReduction_Rxn2:success
+ CarbonylReduction_Rxn2:failed
- Esterification_Rxn1:success
+ Esterification_Rxn1:failed
- Esterification_Rxn2:success
+ Esterification_Rxn2:failed
- Grignard_Rxn1:success
+ Grignard_Rxn1:failed
- Grignard_Rxn2:success
+ Grignard_Rxn2:failed
- N-Alkylation_Rxn1:success
+ N-Alkylation_Rxn1:failed
- N-Alkylation_Rxn2:success
+ N-Alkylation_Rxn2:failed
- N-Sulfonylation_Rxn1:success
+ N-Sulfonylation_Rxn1:failed
- N-Sulfonylation_Rxn2:success
+ N-Sulfonylation_Rxn2:failed
- O-Alkylation_Rxn1:success
+ O-Alkylation_Rxn1:failed
- O-Alkylation_Rxn2:success
+ O-Alkylation_Rxn2:failed
- Reductive Amination_Rxn1:success
+ Reductive Amination_Rxn1:failed
- Reductive Amination_Rxn2:success
+ Reductive Amination_Rxn2:failed
- SnAr_Rxn1:success
+ SnAr_Rxn1:failed
- SnAr_Rxn2:success
+ SnAr_Rxn2:failed
- Suzuki_Rxn1:success
+ Suzuki_Rxn1:failed
- Suzuki_Rxn2:success
+ Suzuki_Rxn2:failed
Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / macos-13-x86_64-dotnet_test_report
formats.cdx_to_ket
[FAILED]
Raw output
Diff:
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Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / macos-13-x86_64-dotnet_test_report
formats.cdxml_ket_superscript
[FAILED]
Raw output
Diff:
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Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / macos-13-x86_64-dotnet_test_report
formats.cdxml_to_mol
[FAILED]
Raw output
Diff:
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- 22.8960 -10.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 18.1039 4.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 22.8960 -11.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 18.1039 3.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 22.0300 -11.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 17.2379 3.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 21.1640 -11.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 16.3719 3.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 21.1640 -10.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 16.3719 4.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 22.0300 -9.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 17.2379 5.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 24.4140 -15.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 19.6219 -1.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 23.4360 -15.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 18.6439 -1.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 23.0293 -14.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 18.2373 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 22.0347 -14.9197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
+ 17.2426 -0.2237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
- 21.8267 -15.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 17.0346 -1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 22.6930 -16.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 17.9009 -1.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 22.6930 -17.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 17.9009 -2.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 21.8267 -17.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 17.0346 -3.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 20.9607 -17.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 16.1686 -2.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 20.9607 -16.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 16.1686 -1.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 27.6577 -17.5113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
+ 22.8656 -2.8154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
- 28.6357 -17.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 23.8436 -3.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 28.9447 -18.6703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
+ 24.1526 -3.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 29.3430 -17.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 24.5509 -2.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 30.3087 -17.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 25.5166 -2.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 31.0160 -16.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 26.2239 -1.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 31.9817 -16.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 27.1896 -2.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 32.2407 -17.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 27.4486 -3.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 31.5337 -18.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 26.7416 -3.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 30.5677 -18.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 25.7756 -3.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- M SDI 1 4 0.0000 0.0000 0.0000 0.0000
+ M SDI 1 4 4.0550 -4.2070 4.0550 -4.5567
- M SDI 1 4 0.0000 0.0000 0.0000 0.0000
+ M SDI 1 4 4.7167 -4.2070 4.7167 -4.5567
- M SDI 2 4 0.0000 0.0000 0.0000 0.0000
+ M SDI 2 4 5.1180 -4.2070 5.1180 -4.5517
- M SDI 2 4 0.0000 0.0000 0.0000 0.0000
+ M SDI 2 4 5.8997 -4.2070 5.8997 -4.5517
- M SDI 3 4 0.0000 0.0000 0.0000 0.0000
+ M SDI 3 4 6.4453 -4.2070 6.4453 -4.5517
- M SDI 3 4 0.0000 0.0000 0.0000 0.0000
+ M SDI 3 4 6.9487 -4.2070 6.9487 -4.5517
- M SDI 4 4 0.0000 0.0000 0.0000 0.0000
+ M SDI 4 4 7.1993 -4.2070 7.1993 -4.4850
- M SDI 4 4 0.0000 0.0000 0.0000 0.0000
+ M SDI 4 4 8.1460 -4.2070 8.1460 -4.4850
- M END
+ M END
Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / macos-13-x86_64-dotnet_test_report
formats.ket_cdxml
[FAILED]
Raw output
Diff:
- 961-text_size.cdxml:SUCCEED
+ 961-text_size.cdxml:FAILED
- 961-text_size.ket:SUCCEED
+ ---
- agents.cdxml:SUCCEED
- agents.ket:SUCCEED
+ +++
+ @@ -38,10 +38,10 @@
+ <b id="27" B="12" E="13"/>
+ </fragment>
+ <arrow id="14" BoundingBox="338.250000 174.000000 217.500000 174.750000" FillType="None" ArrowheadType="Solid" HeadSize="2250" ArrowheadWidth="563" ArrowheadHead="Full" ArrowheadCenterSize="25" Head3D="338.250000 174.000000 0.000000" Tail3D="217.500000 174.750000 0.000000"/>
+ - <t id="17" p="222.750000 135.000000" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="0">test13</s>
+ - <s font="4" size="13.3333" face="0">test20</s>
+ - <s font="4" size="26.6667" face="0">test40</s>
+ + <t id="17" p="222.750000 135.000000" BoundingBox="222.750000 135.000000 401.156250 171.750000" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="0">test13</s>
+ + <s font="4" size="26.6667" face="0">test20</s>
+ + <s font="4" size="53.3333" face="0">test40</s>
+ </t>
+ <scheme>
+ <step ReactionStepReactants="4" ReactionStepProducts="9" ReactionStepArrows="14"/>
+ 961-text_size.ket:FAILED
+ ---
+ +++
+ @@ -28,7 +28,7 @@
+ {
+ "type": "text",
+ "data": {
+ - "content": "{\"blocks\":[{\"text\":\"test13test20test40\",\"inlineStyleRanges\":[{\"offset\":6,\"length\":6,\"style\":\"CUSTOM_FONT_SIZE_20px\"},{\"offset\":12,\"length\":6,\"style\":\"CUSTOM_FONT_SIZE_40px\"}],\"entityRanges\":[],\"data\":{}}],\"entityMap\":{}}",
+ + "content": "{\"blocks\":[{\"text\":\"test13test20test40\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":6,\"style\":\"CUSTOM_FONT_SIZE_26px\"},{\"offset\":6,\"length\":6,\"style\":\"CUSTOM_FONT_SIZE_40px\"},{\"offset\":12,\"length\":6,\"style\":\"CUSTOM_FONT_SIZE_80px\"}],\"entityRanges\":[],\"data\":{}}],\"entityMap\":{}}",
+ "position": {
+ "x": 7.425000190734863,
+ "y": -4.5,
+ @@ -42,16 +42,16 @@
+ },
+ {
+ "x": 7.425000190734863,
+ - "y": -4.5,
+ + "y": -5.724999904632568,
+ "z": 0.0
+ },
+ {
+ - "x": 7.425000190734863,
+ - "y": -4.5,
+ + "x": 13.371874809265137,
+ + "y": -5.724999904632568,
+ "z": 0.0
+ },
+ {
+ - "x": 7.425000190734863,
+ + "x": 13.371874809265137,
+ "y": -4.5,
+ "z": 0.0
+ }
+ agents.cdxml:FAILED
+ ---
+ +++
+ @@ -77,8 +77,8 @@
+ <b id="53" B="24" E="27"/>
+ </fragment>
+ <arrow id="28" BoundingBox="384.000000 150.750000 255.000000 152.250000" FillType="None" ArrowheadType="Solid" HeadSize="2250" ArrowheadWidth="563" ArrowheadHead="Full" ArrowheadCenterSize="25" Head3D="384.000000 150.750000 0.000000" Tail3D="255.000000 152.250000 0.000000"/>
+ - <t id="31" p="304.500000 167.250000" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="0">test</s>
+ + <t id="31" p="304.500000 167.250000" BoundingBox="304.500000 167.250000 316.606354 176.550003" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="0">test</s>
+ </t>
+ <scheme>
+ <step ReactionStepReactants="4" ReactionStepProducts="16" ReactionStepObjectsAboveArrow="14" ReactionStepArrows="28"/>
+ agents.ket:FAILED
+ ---
+ +++
+ @@ -31,7 +31,7 @@
+ {
+ "type": "text",
+ "data": {
+ - "content": "{\"blocks\":[{\"text\":\"test\",\"inlineStyleRanges\":[],\"entityRanges\":[],\"data\":{}}],\"entityMap\":{}}",
+ + "content": "{\"blocks\":[{\"text\":\"test\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":4,\"style\":\"CUSTOM_FONT_SIZE_26px\"}],\"entityRanges\":[],\"data\":{}}],\"entityMap\":{}}",
+ "position": {
+ "x": 10.149999618530274,
+ "y": -5.574999809265137,
+ @@ -45,16 +45,16 @@
+ },
+ {
+ "x": 10.149999618530274,
+ - "y": -5.574999809265137,
+ + "y": -5.885000228881836,
+ "z": 0.0
+ },
+ {
+ - "x": 10.149999618530274,
+ - "y": -5.574999809265137,
+ + "x": 10.553544998168946,
+ + "y": -5.885000228881836,
+ "z": 0.0
+ },
+ {
+ - "x": 10.149999618530274,
+ + "x": 10.553544998168946,
+ "y": -5.574999809265137,
+ "z": 0.0
+ }
Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / macos-13-x86_64-dotnet_test_report
formats.mol_to_ket
[FAILED]
Raw output
Diff:
- issue_2699_rlogic.ket:SUCCEED
+ issue_2699_rlogic.ket:FAILED
+ ---
+ +++
+ @@ -18,24 +18,24 @@
+ {
+ "label": "C",
+ "location": [
+ - 0.000000,
+ - -3.933975,
+ + 17.749399,
+ + -3.857470,
+ 0.000000
+ ]
+ },
+ {
+ "label": "C",
+ "location": [
+ - 1.000000,
+ - -3.933975,
+ + 18.750601,
+ + -3.857470,
+ 0.000000
+ ]
+ },
+ {
+ "label": "C",
+ "location": [
+ - 0.500000,
+ - -4.800000,
+ + 18.250000,
+ + -2.992530,
+ 0.000000
+ ]
+ }
Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / macos-13-x86_64-dotnet_test_report
formats.pathway
[FAILED]
Raw output
Diff:
- pathway11.rdf:SUCCEED
+ pathway11.rdf:FAILED
- pathway12.rdf:SUCCEED
+ ---
+ +++
+ @@ -1 +1 @@
+ -{"root":{"nodes":[{"$ref":"mol0"},{"$ref":"mol1"},{"$ref":"mol2"},{"$ref":"mol3"},{"$ref":"mol4"},{"$ref":"mol5"},{"$ref":"mol6"},{"$ref":"mol7"},{"$ref":"mol8"},{"$ref":"mol9"},{"$ref":"mol10"},{"type":"text","data":{"content":"{\"blocks\":[{\"text\":\"Removal of benzoxazol-2-yl\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":26,\"style\":\"BOLD\"}],\"entityRanges\":[],\"data\":{}},{\"text\":\"group from amines\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":17,\"style\":\"BOLD\"}],\"entityRanges\":[],\"data\":{}},{\"text\":\"\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":0,\"style\":\"BOLD\"}],\"entityRanges\":[],\"data\":{}},{\"text\":\"LAH.THF.reflux\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":14,\"style\":\"ITALIC\"}],\"entityRanges\":[],\"data\":{}}],\"entityMap\":{}}","position":{"x":77.3457260131836,"y":-11.969417572021485,"z":0.0},"pos":[{"x":77.3457260131836,"y":-11.969417572021485,"z":0.0},{"x":77.3457260131836,"y":-13.923861503601075,"z":0.0},{"x":77.3457260131836,"y":-11.969417572021485,"z":0.0},{"x":82.20868682861328,"y":-13.923861503601075,"z":0.0},{"x":82.20868682861328,"y":-11.969417572021485,"z":0.0}]}},{"type":"text","data":{"content":"{\"blocks\":[{\"text\":\"Alkylation of amines with\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":25,\"style\":\"BOLD\"}],\"entityRanges\":[],\"data\":{}},{\"text\":\"alkyl halides\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":13,\"style\":\"BOLD\"}],\"entityRanges\":[],\"data\":{}},{\"text\":\"\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":0,\"style\":\"BOLD\"}],\"entityRanges\":[],\"data\":{}},{\"text\":\"KOH. toluene. PTC. catalyst or\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":30,\"style\":\"ITALIC\"}],\"entityRanges\":[],\"data\":{}},{\"text\":\"KI. base e.g. K2CO3\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":19,\"style\":\"ITALIC\"}],\"entityRanges\":[],\"data\":{}}],\"entityMap\":{}}","position":{"x":57.039302825927737,"y":-11.609416961669922,"z":0.0},"pos":[{"x":57.039302825927737,"y":-11.609416961669922,"z":0.0},{"x":57.039302825927737,"y":-13.923861503601075,"z":0.0},{"x":57.039302825927737,"y":-11.609416961669922,"z":0.0},{"x":62.650413513183597,"y":-13.923861503601075,"z":0.0},{"x":62.650413513183597,"y":-11.609416961669922,"z":0.0}]}},{"type":"text","data":{"content":"{\"blocks\":[{\"text\":\"Published reaction\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":18,\"style\":\"BOLD\"}],\"entityRanges\":[],\"data\":{}},{\"text\":\"\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":0,\"style\":\"BOLD\"}],\"entityRanges\":[],\"data\":{}},{\"text\":\"Stage 1: 14 h, Copper(II)\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":25,\"style\":\"ITALIC\"}],\"entityRanges\":[],\"data\":{}},{\"text\":\"chloride, Dimethylformamide,\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":28,\"style\":\"ITALIC\"}],\"entityRanges\":[],\"data\":{}},{\"text\":\"Dichloromethane, CK2O3 \",\"inlineStyleRanges\":[{\"offset\":0,\"length\":25,\"style\":\"ITALIC\"}],\"entityRanges\":[],\"data\":{}},{\"text\":\"Potassium carbonate | Stage 2:\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":30,\"style\":\"ITALIC\"}],\"entityRanges\":[],\"data\":{}},{\"text\":\"5 h, 80 degree, acid, Dy(3+)-\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":29,\"style\":\"ITALIC\"}],\"entityRanges\":[],\"data\":{}},{\"text\":\"salt C3Dy1F9O9S3,\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":17,\"style\":\"ITALIC\"}],\"entityRanges\":[],\"data\":{}},{\"text\":\"Dichloromethane, Acetonitrile\",\"inlineStyleRanges\":[{\"offset\":0,\"length\":29,\"style\":\"ITALIC\"}],\"entityRanges\":[],\"data\":{}}],\"entityMap\":{}}","position":{"x":41.58322525024414,"y":-3.980682611465454,"z":0.0},"pos":[{"x":41.58322525024414,"y":-3.980682611465454,"z":0.0},{"x":41.58322525024414,"y":-7.7351274490356449,"z":0.0},{"x":41.58322525024414,"y":-3.980682611465454,"z":0.0},{"x":47.1943359375,"y":-7.7351274490356449,"z":0.0},{"x":47.1943359375,"y":-3.980682611465454,"z":0.0}]}},{"type":"text","data":{"content":"{\"blocks\":[{\"text\":\"Addition of dihalomethane 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+ pathway12.rdf:FAILED
+ ---
+ +++
+ @@ -1 +1 @@
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Check failure on line 1 in api/c/tests/unit/tests/formats.cpp
github-actions / macos-13-x86_64-dotnet_test_report
formats.rdf_to_cdxml
[FAILED]
Raw output
Diff:
- pathway11.cdxml:SUCCEED
+ pathway11.cdxml:FAILED
- pathway12.cdxml:SUCCEED
+ ---
+ +++
+ @@ -474,80 +474,80 @@
+ <b id="329" B="153" E="154" Order="1.5" Display="Dash" Display2="Dash"/>
+ <b id="330" B="154" E="145" Order="1.5" Display="Dash" Display2="Dash"/>
+ </fragment>
+ - <t id="155" p="2320.371826 359.082520" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="1">Removal of benzoxazol-2-yl</s>
+ - </t>
+ - <t id="155" p="2320.371826 359.082520" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="1">group from amines</s>
+ - </t>
+ - <t id="155" p="2320.371826 359.082520" Justification="Left" InterpretChemically="no"/>
+ - <t id="155" p="2320.371826 359.082520" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="3">LAH.THF.reflux</s>
+ - </t>
+ - <t id="158" p="1711.179077 348.282501" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="1">Alkylation of amines with</s>
+ - </t>
+ - <t id="158" p="1711.179077 348.282501" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="1">alkyl halides</s>
+ - </t>
+ - <t id="158" p="1711.179077 348.282501" Justification="Left" InterpretChemically="no"/>
+ - <t id="158" p="1711.179077 348.282501" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="3">KOH. toluene. PTC. catalyst or</s>
+ - </t>
+ - <t id="158" p="1711.179077 348.282501" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="3">KI. base e.g. K2CO3</s>
+ - </t>
+ - <t id="161" p="1247.496704 119.420479" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="1">Published reaction</s>
+ - </t>
+ - <t id="161" p="1247.496704 119.420479" Justification="Left" InterpretChemically="no"/>
+ - <t id="161" p="1247.496704 119.420479" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="3">Stage 1: 14 h, Copper(II)</s>
+ - </t>
+ - <t id="161" p="1247.496704 119.420479" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="3">chloride, Dimethylformamide,</s>
+ - </t>
+ - <t id="161" p="1247.496704 119.420479" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="3">Dichloromethane, CK2O3 </s>
+ - </t>
+ - <t id="161" p="1247.496704 119.420479" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="3">Potassium carbonate | Stage 2:</s>
+ - </t>
+ - <t id="161" p="1247.496704 119.420479" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="3">5 h, 80 degree, acid, Dy(3+)-</s>
+ - </t>
+ - <t id="161" p="1247.496704 119.420479" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="3">salt C3Dy1F9O9S3,</s>
+ - </t>
+ - <t id="161" p="1247.496704 119.420479" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="3">Dichloromethane, Acetonitrile</s>
+ - </t>
+ - <t id="164" p="1247.496704 544.744507" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="1">Addition of dihalomethane to</s>
+ - </t>
+ - <t id="164" p="1247.496704 544.744507" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="1">aldehyde</s>
+ - </t>
+ - <t id="164" p="1247.496704 544.744507" Justification="Left" InterpretChemically="no"/>
+ - <t id="164" p="1247.496704 544.744507" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="3">SmI2.THF</s>
+ - </t>
+ - <t id="167" p="727.691711 615.989075" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="1">Ozonolysis</s>
+ - </t>
+ - <t id="167" p="727.691711 615.989075" Justification="Left" InterpretChemically="no"/>
+ - <t id="167" p="727.691711 615.989075" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="3">O3.MeOH.CH2Cl2.PPh3 or Me2S.</s>
+ - </t>
+ - <t id="167" p="727.691711 615.989075" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="3">low temperature</s>
+ - </t>
+ - <t id="170" p="242.335175 626.789062" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="1">Mitsunobu reaction</s>
+ - </t>
+ - <t id="170" p="242.335175 626.789062" Justification="Left" InterpretChemically="no"/>
+ - <t id="170" p="242.335175 626.789062" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="3">DEAD.or.DCAD.or.DIAD.PPh3</s>
+ + <t id="155" p="2320.371826 359.082520" BoundingBox="2320.371826 359.082520 2466.260498 417.715851" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="1">Removal of benzoxazol-2-yl</s>
+ + </t>
+ + <t id="155" p="2320.371826 359.082520" BoundingBox="2320.371826 359.082520 2466.260498 417.715851" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="1">group from amines</s>
+ + </t>
+ + <t id="155" p="2320.371826 359.082520" BoundingBox="2320.371826 359.082520 2466.260498 417.715851" Justification="Left" InterpretChemically="no"/>
+ + <t id="155" p="2320.371826 359.082520" BoundingBox="2320.371826 359.082520 2466.260498 417.715851" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="3">LAH.THF.reflux</s>
+ + </t>
+ + <t id="158" p="1711.179077 348.282501" BoundingBox="1711.179077 348.282501 1879.512451 417.715851" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="1">Alkylation of amines with</s>
+ + </t>
+ + <t id="158" p="1711.179077 348.282501" BoundingBox="1711.179077 348.282501 1879.512451 417.715851" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="1">alkyl halides</s>
+ + </t>
+ + <t id="158" p="1711.179077 348.282501" BoundingBox="1711.179077 348.282501 1879.512451 417.715851" Justification="Left" InterpretChemically="no"/>
+ + <t id="158" p="1711.179077 348.282501" BoundingBox="1711.179077 348.282501 1879.512451 417.715851" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="3">KOH. toluene. PTC. catalyst or</s>
+ + </t>
+ + <t id="158" p="1711.179077 348.282501" BoundingBox="1711.179077 348.282501 1879.512451 417.715851" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="3">KI. base e.g. K2CO3</s>
+ + </t>
+ + <t id="161" p="1247.496704 119.420479" BoundingBox="1247.496704 119.420479 1415.830078 232.053818" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="1">Published reaction</s>
+ + </t>
+ + <t id="161" p="1247.496704 119.420479" BoundingBox="1247.496704 119.420479 1415.830078 232.053818" Justification="Left" InterpretChemically="no"/>
+ + <t id="161" p="1247.496704 119.420479" BoundingBox="1247.496704 119.420479 1415.830078 232.053818" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="3">Stage 1: 14 h, Copper(II)</s>
+ + </t>
+ + <t id="161" p="1247.496704 119.420479" BoundingBox="1247.496704 119.420479 1415.830078 232.053818" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="3">chloride, Dimethylformamide,</s>
+ + </t>
+ + <t id="161" p="1247.496704 119.420479" BoundingBox="1247.496704 119.420479 1415.830078 232.053818" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="3">Dichloromethane, CK2O3 </s>
+ + </t>
+ + <t id="161" p="1247.496704 119.420479" BoundingBox="1247.496704 119.420479 1415.830078 232.053818" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="3">Potassium carbonate | Stage 2:</s>
+ + </t>
+ + <t id="161" p="1247.496704 119.420479" BoundingBox="1247.496704 119.420479 1415.830078 232.053818" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="3">5 h, 80 degree, acid, Dy(3+)-</s>
+ + </t>
+ + <t id="161" p="1247.496704 119.420479" BoundingBox="1247.496704 119.420479 1415.830078 232.053818" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="3">salt C3Dy1F9O9S3,</s>
+ + </t>
+ + <t id="161" p="1247.496704 119.420479" BoundingBox="1247.496704 119.420479 1415.830078 232.053818" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="3">Dichloromethane, Acetonitrile</s>
+ + </t>
+ + <t id="164" p="1247.496704 544.744507" BoundingBox="1247.496704 544.744507 1404.607910 603.377808" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="1">Addition of dihalomethane to</s>
+ + </t>
+ + <t id="164" p="1247.496704 544.744507" BoundingBox="1247.496704 544.744507 1404.607910 603.377808" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="1">aldehyde</s>
+ + </t>
+ + <t id="164" p="1247.496704 544.744507" BoundingBox="1247.496704 544.744507 1404.607910 603.377808" Justification="Left" InterpretChemically="no"/>
+ + <t id="164" p="1247.496704 544.744507" BoundingBox="1247.496704 544.744507 1404.607910 603.377808" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="3">SmI2.THF</s>
+ + </t>
+ + <t id="167" p="727.691711 615.989075" BoundingBox="727.691711 615.989075 884.802734 674.622375" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="1">Ozonolysis</s>
+ + </t>
+ + <t id="167" p="727.691711 615.989075" BoundingBox="727.691711 615.989075 884.802734 674.622375" Justification="Left" InterpretChemically="no"/>
+ + <t id="167" p="727.691711 615.989075" BoundingBox="727.691711 615.989075 884.802734 674.622375" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="3">O3.MeOH.CH2Cl2.PPh3 or Me2S.</s>
+ + </t>
+ + <t id="167" p="727.691711 615.989075" BoundingBox="727.691711 615.989075 884.802734 674.622375" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="3">low temperature</s>
+ + </t>
+ + <t id="170" p="242.335175 626.789062" BoundingBox="242.335175 626.789062 382.612915 674.622375" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="1">Mitsunobu reaction</s>
+ + </t>
+ + <t id="170" p="242.335175 626.789062" BoundingBox="242.335175 626.789062 382.612915 674.622375" Justification="Left" InterpretChemically="no"/>
+ + <t id="170" p="242.335175 626.789062" BoundingBox="242.335175 626.789062 382.612915 674.622375" Justification="Left" InterpretChemically="no">
+ + <s font="4" size="17.3333" face="3">DEAD.or.DCAD.or.DIAD.PPh3</s>
+ </t>
+ <arrow id="176" BoundingBox="932.080505 674.622375 722.080566 674.622375" FillType="None" ArrowheadType="Solid" HeadSize="2250" ArrowheadWidth="563" ArrowheadHead="Full" ArrowheadCenterSize="2250" Head3D="932.080505 674.622375 0.000000" Tail3D="722.080566 674.622375 0.000000"/>
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+ pathway12.cdxml:FAILED
+ ---
+ +++
+ @@ -304,111 +304,111 @@
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+ <b id="256" B="116" E="117"/>
+ </fragment>
+ - <t id="118" p="1125.922607 226.056747" Justification="Left" InterpretChemically="no"/>
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+ - </t>
+ - <t id="118" p="1125.922607 226.056747" Justification="Left" InterpretChemically="no">
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+ - </t>
+ - <t id="118" p="1125.922607 226.056747" Justification="Left" InterpretChemically="no">
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+ - </t>
+ - <t id="118" p="1125.922607 226.056747" Justification="Left" InterpretChemically="no">
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+ - </t>
+ - <t id="118" p="1125.922607 226.056747" Justification="Left" InterpretChemically="no">
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+ - <t id="118" p="1125.922607 226.056747" Justification="Left" InterpretChemically="no">
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+ - </t>
+ - <t id="118" p="1125.922607 226.056747" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="2">123456789012345678901234567890</s>
+ - </t>
+ - <t id="118" p="1125.922607 226.056747" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="2">123456789012345678901234567...</s>
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+ - <t id="121" p="814.358826 301.656769" Justification="Left" InterpretChemically="no">
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+ - <t id="121" p="814.358826 301.656769" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="1">12</s>
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+ - <t id="124" p="502.256348 114.618309" Justification="Left" InterpretChemically="no">
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+ - <t id="124" p="502.256348 114.618309" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="1">12</s>
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+ - <t id="124" p="502.256348 114.618309" Justification="Left" InterpretChemically="no"/>
+ - <t id="124" p="502.256348 114.618309" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="3">~!@#$%^&*()_-+=?.,{}[]|\/"':;`</s>
+ - </t>
+ - <t id="124" p="502.256348 114.618309" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="3"><></s>
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+ - <t id="127" p="502.256348 445.495209" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="3">AbcdefghijklmnopqrstuvWxyzabcd</s>
+ - </t>
+ - <t id="130" p="80.833344 509.536621" Justification="Left" InterpretChemically="no">
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+ - <t id="130" p="80.833344 509.536621" Justification="Left" InterpretChemically="no"/>
+ - <t id="130" p="80.833344 509.536621" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="3">~!@#$%^&*()_-+=?.,{}[]|\/"':;`</s>
+ - </t>
+ - <t id="133" p="748.192444 769.491760" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="1">ABCDEFGHIJKLMNOPQRSTUVWXYZABCD</s>
+ - </t>
+ - <t id="133" p="748.192444 769.491760" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="1">ABCDEFGHIJKLMNOPQRSTUVWXYZABCD</s>
+ - </t>
+ - <t id="133" p="748.192444 769.491760" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="1">ABCDEFGHIJKLMNOPQRSTUVWXYZABCD</s>
+ - </t>
+ - <t id="133" p="748.192444 769.491760" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="1">ABCDEFGHIJKLMNOPQRSTUVWXYZABCD</s>
+ - </t>
+ - <t id="133" p="748.192444 769.491760" Justification="Left" InterpretChemically="no">
+ - <s font="4" size="8.66667" face="1">ABCDEFGHIJKLMNOPQRSTUVWXYZABCD</s>
+ - </t>
+ - <t id="133" p="748.192444 769.491760" Justification="Left" InterpretChemically="no">
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+ - </t>
+ - <t id="133" p="748.192444 769.491760" Justification="Left" InterpretChemically="no">
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