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EVODEX.1-P6004

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E72 - Reaction Operator E

Reaction Operator E SMIRKS

([#8:24]-[#15:25](=[#8:26])(-[#8:27])-[#8:28]-[#15:29].[#8:34]-[#6@@:33](-[#6@@:18])(-[H:49])-[#6@:35](-[#6@:16])(-[#8:36])-[H:51]).[#8:1](-[H:52])-[H]>>([#8:1](-[#15:25](-[#8:24])(=[#8:26])-[#8:27])-[H:52].[#8:36]-[#6@:35](-[#6@:16])(-[H:51])-[#6@@:33](-[#6@@:18])(-[#8:34])-[H:49]).[#8:28](-[#15:29])-[H]

EVODEX.1-C177 - Reaction Operator C

Reaction Operator C SMIRKS

([#15:16]-[#8:19].[#6@:24]-[#6@:26]).[H]-[#8:1]>>[H]-[#8:19].([#8:1]-[#15:16].[#6@@:26]-[#6@@:24])

EVODEX.1-N664 - Reaction Operator N

Reaction Operator N SMIRKS

([#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20].[#8:25]-[#6@@:24](-[#6@@:13])(-[H:40])-[#6@:26](-[#6@:11])(-[#8:27])-[H:42]).[H]-[#8:1]-[H:44]>>[H]-[#8:19]-[#15:20].([#8:1](-[#15:16](-[#8:15])(=[#8:17])-[#8:18])-[H:44].[#8:27]-[#6@:26](-[#6@:11])(-[H:42])-[#6@@:24](-[#6@@:13])(-[#8:25])-[H:40])

EVODEX.1-Em123 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20].[H]-[#8:1]>>[H]-[#8:19]-[#15:20].[#8:1]-[#15:16](-[#8:15])(=[#8:17])-[#8:18]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm157 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20].[H]-[#8:1]>>[H]-[#8:19]-[#15:20].[#8:1]-[#15:16](-[#8:15])(=[#8:17])-[#8:18]

Source Full Reactions

EVODEX.1-R6647

Full Reaction Rendering

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