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EVODEX.1-P2154

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:12]([C@:11]([C:9]([N:8]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:54])([H:55])[H:56])([C:18](=[O:19])[N:20]([C@@:21]([C:22]([C:23]([C:24](=[O:25])[O:26][H:45])([H:46])[H:47])([H:48])[H:49])([C:27](=[O:28])[O:29][H:50])[H:51])[H:52])[H:53])[H:44])=[O:5])([C:7]([H:30])([H:31])[H:32])[H:43])[H:42])=[O:10])([C:13]([C:14]([C:15]([N:16]([H:35])[H:36])=[O:17])([H:37])[H:38])([H:39])[H:40])[H:41])[H:33]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([H:30])([H:31])[H:32])([N:8]([C:9](=[O:10])[C@@:11]1([H:41])[N:12]([H:33])[C:15](=[O:17])[C:14]([H:37])([H:38])[C:13]1([H:39])[H:40])[H:42])[H:43])[H:44])([C:18](=[O:19])[N:20]([C@@:21]([C:22]([C:23]([C:24](=[O:25])[O:26][H:45])([H:46])[H:47])([H:48])[H:49])([C:27](=[O:28])[O:29][H:50])[H:51])[H:52])[H:53])([H:54])([H:55])[H:56].[H][N:16]([H:35])[H:36]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E65 - Reaction Operator E

Reaction Operator E SMIRKS

([#7:9](-[#6@@:8])(-[H:26])-[H].[#6:11]-[#6:12](-[#7:13](-[H:28])-[H:29])=[#8:14])>>[#7:9](-[#6@@:8])(-[H:26])-[#6:12](=[#8:14])-[#6:11].[#7:13](-[H:28])(-[H:29])-[H]

EVODEX.1-C370 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#7:12]-[#6@:11].[#6:15]-[#7:16].[#6@@:2])>>([#7:12](-[#6@@:11])-[#6:15].[#6@:2]).[H]-[#7:16]

EVODEX.1-N429 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#7:12](-[#6@:11](-[#6:9])(-[#6:13]-[#6:14]-[#6:15](-[#7:16](-[H:26])-[H:27])=[#8:17])-[H:32])-[H:24].[#7:3]-[#6@@:2](-[#6:1])(-[#6:18])-[H:38])>>([#6:1]-[#6@:2](-[#7:3])(-[#6:18])-[H:38].[#6:9]-[#6@@:11]1(-[H:32])-[#7:12](-[H:24])-[#6:15](=[#8:17])-[#6:14]-[#6:13]-1).[H]-[#7:16](-[H:26])-[H:27]

EVODEX.1-Em471 - Reaction Operator Em

Reaction Operator Em SMIRKS

([H]-[#7:12]-[#6:11].[#6:14]-[#6:15](-[#7:16])=[#8:17])>>[#6:11]-[#7:12]-[#6:15](=[#8:17])-[#6:14].[H]-[#7:16]

EVODEX.1-Cm101 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#7:9].[#6:4]-[#7:3])>>[#6:4]-[#7:9].[H]-[#7:3]

EVODEX.1-Nm422 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([H]-[#7:12]-[#6:11].[#6:14]-[#6:15](-[#7:16])=[#8:17])>>[#6:11]-[#7:12]-[#6:15](=[#8:17])-[#6:14].[H]-[#7:16]

Source Full Reactions

EVODEX.1-R2903

Full Reaction Rendering

[H][N:12]([C@:11]([C:9]([N:8]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:54])([H:55])[H:56])([C:18](=[O:19])[N:20]([C@@:21]([C:22]([C:23]([C:24](=[O:25])[O:26][H:45])([H:46])[H:47])([H:48])[H:49])([C:27](=[O:28])[O:29][H:50])[H:51])[H:52])[H:53])[H:44])=[O:5])([C:7]([H:30])([H:31])[H:32])[H:43])[H:42])=[O:10])([C:13]([C:14]([C:15]([N:16]([H:35])[H:36])=[O:17])([H:37])[H:38])([H:39])[H:40])[H:41])[H:33]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([H:30])([H:31])[H:32])([N:8]([C:9](=[O:10])[C@@:11]1([H:41])[N:12]([H:33])[C:15](=[O:17])[C:14]([H:37])([H:38])[C:13]1([H:39])[H:40])[H:42])[H:43])[H:44])([C:18](=[O:19])[N:20]([C@@:21]([C:22]([C:23]([C:24](=[O:25])[O:26][H:45])([H:46])[H:47])([H:48])[H:49])([C:27](=[O:28])[O:29][H:50])[H:51])[H:52])[H:53])([H:54])([H:55])[H:56].[H][N:16]([H:35])[H:36]