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EVODEX.1-P2145

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:18]([C@:17]([C:15]([N:14]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:48])([H:49])[H:50])([C:24](=[O:25])[O:26][H:46])[H:47])[H:45])=[O:5])([C:7]([C:8]1:[C:9]([H:27]):[C:10]([H:28]):[C:11]([H:29]):[C:12]([H:30]):[C:13]:1[H:31])([H:32])[H:33])[H:44])[H:43])=[O:16])([C:19]([C:20]([C:21]([N:22]([H:36])[H:37])=[O:23])([H:38])[H:39])([H:40])[H:41])[H:42])[H:34]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([C:8]1:[C:9]([H:27]):[C:10]([H:28]):[C:11]([H:29]):[C:12]([H:30]):[C:13]:1[H:31])([H:32])[H:33])([N:14]([C:15](=[O:16])[C@@:17]1([H:42])[N:18]([H:34])[C:21](=[O:23])[C:20]([H:38])([H:39])[C:19]1([H:40])[H:41])[H:43])[H:44])[H:45])([C:24](=[O:25])[O:26][H:46])[H:47])([H:48])([H:49])[H:50].[H][N:22]([H:36])[H:37]

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-R2895

Full Reaction Rendering

[H][N:18]([C@:17]([C:15]([N:14]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:48])([H:49])[H:50])([C:24](=[O:25])[O:26][H:46])[H:47])[H:45])=[O:5])([C:7]([C:8]1:[C:9]([H:27]):[C:10]([H:28]):[C:11]([H:29]):[C:12]([H:30]):[C:13]:1[H:31])([H:32])[H:33])[H:44])[H:43])=[O:16])([C:19]([C:20]([C:21]([N:22]([H:36])[H:37])=[O:23])([H:38])[H:39])([H:40])[H:41])[H:42])[H:34]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([C:8]1:[C:9]([H:27]):[C:10]([H:28]):[C:11]([H:29]):[C:12]([H:30]):[C:13]:1[H:31])([H:32])[H:33])([N:14]([C:15](=[O:16])[C@@:17]1([H:42])[N:18]([H:34])[C:21](=[O:23])[C:20]([H:38])([H:39])[C:19]1([H:40])[H:41])[H:43])[H:44])[H:45])([C:24](=[O:25])[O:26][H:46])[H:47])([H:48])([H:49])[H:50].[H][N:22]([H:36])[H:37]