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EVODEX.1-P2149

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:16]([C@:15]([C:13]([N:12]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:65])([H:66])[H:67])([C:22](=[O:23])[N:24]([C@@:25]([C:26]([C:27]1:[C:28]([H:53]):[C:29]([H:54]):[C:30]([H:55]):[C:31]([H:56]):[C:32]:1[H:57])([H:58])[H:59])([C:33]([N:34]([H:60])[H:61])=[O:35])[H:62])[H:63])[H:64])[H:52])=[O:5])([C:7]([C:8]([C:9](=[O:10])[O:11][H:36])([H:37])[H:38])([H:39])[H:40])[H:51])[H:50])=[O:14])([C:17]([C:18]([C:19]([N:20]([H:43])[H:44])=[O:21])([H:45])[H:46])([H:47])[H:48])[H:49])[H:41]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([C:8]([C:9](=[O:10])[O:11][H:36])([H:37])[H:38])([H:39])[H:40])([N:12]([C:13](=[O:14])[C@@:15]1([H:49])[N:16]([H:41])[C:19](=[O:21])[C:18]([H:45])([H:46])[C:17]1([H:47])[H:48])[H:50])[H:51])[H:52])([C:22](=[O:23])[N:24]([C@@:25]([C:26]([C:27]1:[C:28]([H:53]):[C:29]([H:54]):[C:30]([H:55]):[C:31]([H:56]):[C:32]:1[H:57])([H:58])[H:59])([C:33]([N:34]([H:60])[H:61])=[O:35])[H:62])[H:63])[H:64])([H:65])([H:66])[H:67].[H][N:20]([H:43])[H:44]

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-R2899

Full Reaction Rendering

[H][N:16]([C@:15]([C:13]([N:12]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:65])([H:66])[H:67])([C:22](=[O:23])[N:24]([C@@:25]([C:26]([C:27]1:[C:28]([H:53]):[C:29]([H:54]):[C:30]([H:55]):[C:31]([H:56]):[C:32]:1[H:57])([H:58])[H:59])([C:33]([N:34]([H:60])[H:61])=[O:35])[H:62])[H:63])[H:64])[H:52])=[O:5])([C:7]([C:8]([C:9](=[O:10])[O:11][H:36])([H:37])[H:38])([H:39])[H:40])[H:51])[H:50])=[O:14])([C:17]([C:18]([C:19]([N:20]([H:43])[H:44])=[O:21])([H:45])[H:46])([H:47])[H:48])[H:49])[H:41]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([C:8]([C:9](=[O:10])[O:11][H:36])([H:37])[H:38])([H:39])[H:40])([N:12]([C:13](=[O:14])[C@@:15]1([H:49])[N:16]([H:41])[C:19](=[O:21])[C:18]([H:45])([H:46])[C:17]1([H:47])[H:48])[H:50])[H:51])[H:52])([C:22](=[O:23])[N:24]([C@@:25]([C:26]([C:27]1:[C:28]([H:53]):[C:29]([H:54]):[C:30]([H:55]):[C:31]([H:56]):[C:32]:1[H:57])([H:58])[H:59])([C:33]([N:34]([H:60])[H:61])=[O:35])[H:62])[H:63])[H:64])([H:65])([H:66])[H:67].[H][N:20]([H:43])[H:44]