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EVODEX.1-P5973

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:33]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:34]):[N:10]:2[C@:11]1([H:35])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:36])[O:19][C:20](=[O:21])[C:22]2:[C:23]([H:37]):[C:24]([H:38]):[C:25]([H:39]):[C:26]([H:40]):[C:27]:2[H:41])([H:42])[H:43])([H:44])[C@:28]([O:29][H:45])([H:46])[C@:30]1([O:31][H:47])[H:48])([H:49])[H:50].[H][O:32][H:51]>>[C:20](=[O:21])([C:22]1:[C:23]([H:37]):[C:24]([H:38]):[C:25]([H:39]):[C:26]([H:40]):[C:27]:1[H:41])[O:32][H:51].[H][O:19][P:16]([O:15][C:14]([C@@:13]1([H:44])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:33]):[N:3]:[C:2]([N:1]([H:49])[H:50]):[C:7]:3:[N:8]:[C:9]:2[H:34])([H:35])[C@@:30]([O:31][H:47])([H:48])[C@@:28]1([O:29][H:45])[H:46])([H:42])[H:43])(=[O:17])[O:18][H:36]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E197 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:2]=[#6:3](-[#8:4]-[#15:5])-[#6:9].[#8:1](-[H:24])-[H]>>[#8:1](-[#6:3](=[#8:2])-[#6:9])-[H:24].[#8:4](-[#15:5])-[H]

EVODEX.1-C42 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:19]-[#6:20].[#6@:32]-[#6@:34]).[H]-[#8:36]>>[#6:20]-[#8:36].([H]-[#8:19].[#6@@:34]-[#6@@:32])

EVODEX.1-N1411 - Reaction Operator N

Reaction Operator N SMIRKS

([#15:16]-[#8:19]-[#6:20](=[#8:21])-[#6:22].[#8:33]-[#6@@:32](-[#6@@:13])(-[H:53])-[#6@:34](-[#6@:11])(-[#8:35])-[H:55]).[H]-[#8:36]-[H:58]>>[#6:20](=[#8:21])(-[#6:22])-[#8:36]-[H:58].([H]-[#8:19]-[#15:16].[#8:35]-[#6@:34](-[#6@:11])(-[H:55])-[#6@@:32](-[#6@@:13])(-[#8:33])-[H:53])

EVODEX.1-Em694 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:2]=[#6:3](-[#8:4]-[#15:5])-[#6:9].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:9].[H]-[#8:4]-[#15:5]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm623 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:2]=[#6:3](-[#8:4]-[#15:5])-[#6:9].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:9].[H]-[#8:4]-[#15:5]

Source Full Reactions

EVODEX.1-R6618

Full Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:33]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:34]):[N:10]:2[C@:11]1([H:35])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:36])[O:19][C:20](=[O:21])[C:22]2:[C:23]([H:37]):[C:24]([H:38]):[C:25]([H:39]):[C:26]([H:40]):[C:27]:2[H:41])([H:42])[H:43])([H:44])[C@:28]([O:29][H:45])([H:46])[C@:30]1([O:31][H:47])[H:48])([H:49])[H:50].[H][O:32][H:51]>>[C:20](=[O:21])([C:22]1:[C:23]([H:37]):[C:24]([H:38]):[C:25]([H:39]):[C:26]([H:40]):[C:27]:1[H:41])[O:32][H:51].[H][O:19][P:16]([O:15][C:14]([C@@:13]1([H:44])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:33]):[N:3]:[C:2]([N:1]([H:49])[H:50]):[C:7]:3:[N:8]:[C:9]:2[H:34])([H:35])[C@@:30]([O:31][H:47])([H:48])[C@@:28]1([O:29][H:45])[H:46])([H:42])[H:43])(=[O:17])[O:18][H:36]