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EVODEX.1-P6020

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C@@:2]1([H:40])[O:3][C@:4]([N:5]2:[C:6]([H:41]):[C:7]([H:42]):[C:8](=[O:9]):[N:10]([H:43]):[C:11]:2=[O:12])([H:44])[C@@:13]([O:14][P:15](=[O:16])([O:17][H:45])[O:18][C:19]([C@@:20]2([H:46])[O:21][C@:22]([N:23]3:[C:24]([H:47]):[N:25]:[C:26]4:[C:27]([N:28]([H:48])[H:49]):[N:29]:[C:30]([H:50]):[N:31]:[C:32]:3:4)([H:51])[C:33]([O:34][H:52])([H:53])[C@:35]2([O:36][H:54])[H:55])([H:56])[H:57])([H:58])[C@@:37]1([O:38][H:59])[H:60])([H:61])([H:62])[H:63].[H][O:39][H:64]>>[H][O:14][C@@:13]1([H:58])[C@@:4]([N:5]2:[C:6]([H:41]):[C:7]([H:42]):[C:8](=[O:9]):[N:10]([H:43]):[C:11]:2=[O:12])([H:44])[O:3][C@@:2]([C:1]([H:61])([H:62])[H:63])([H:40])[C@:37]1([O:38][H:59])[H:60].[P:15](=[O:16])([O:17][H:45])([O:18][C:19]([C@@:20]1([H:46])[O:21][C@:22]([N:23]2:[C:24]([H:47]):[N:25]:[C:26]3:[C:27]([N:28]([H:48])[H:49]):[N:29]:[C:30]([H:50]):[N:31]:[C:32]:2:3)([H:51])[C:33]([O:34][H:52])([H:53])[C@:35]1([O:36][H:54])[H:55])([H:56])[H:57])[O:39][H:64]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E211 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:14](-[#6@@:13])-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[#8:39](-[H:64])-[H]>>[#8:14](-[#6@@:13])-[H].[#15:15](=[#8:16])(-[#8:17])(-[#8:18])-[#8:39]-[H:64]

EVODEX.1-C975 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:14]-[#15:15].[#6@:4].[#6@@:37]).[H]-[#8:39]>>([H]-[#8:14].[#6@@:4].[#6@:37]).[#15:15]-[#8:39]

EVODEX.1-N1851 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:3]1-[#6@@:2]-[#6@:37](-[#6@@:13](-[#6@@:4]-1(-[#7:5])-[H:44])-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18])(-[#8:38])-[H:60].[H]-[#8:39]-[H:64]>>[H]-[#8:14]-[#6@:13]1-[#6@@:4](-[#7:5])(-[H:44])-[#8:3]-[#6@@:2]-[#6@:37]-1(-[#8:38])-[H:60].[#15:15](=[#8:16])(-[#8:17])(-[#8:18])-[#8:39]-[H:64]

EVODEX.1-Em615 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:13]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:39]>>[H]-[#8:14]-[#6:13].[#15:15](=[#8:16])(-[#8:17])(-[#8:18])-[#8:39]

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-Nm550 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:13]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:39]>>[H]-[#8:14]-[#6:13].[#15:15](=[#8:16])(-[#8:17])(-[#8:18])-[#8:39]

Source Full Reactions

EVODEX.1-R6658

Full Reaction Rendering

[C:1]([C@@:2]1([H:40])[O:3][C@:4]([N:5]2:[C:6]([H:41]):[C:7]([H:42]):[C:8](=[O:9]):[N:10]([H:43]):[C:11]:2=[O:12])([H:44])[C@@:13]([O:14][P:15](=[O:16])([O:17][H:45])[O:18][C:19]([C@@:20]2([H:46])[O:21][C@:22]([N:23]3:[C:24]([H:47]):[N:25]:[C:26]4:[C:27]([N:28]([H:48])[H:49]):[N:29]:[C:30]([H:50]):[N:31]:[C:32]:3:4)([H:51])[C:33]([O:34][H:52])([H:53])[C@:35]2([O:36][H:54])[H:55])([H:56])[H:57])([H:58])[C@@:37]1([O:38][H:59])[H:60])([H:61])([H:62])[H:63].[H][O:39][H:64]>>[H][O:14][C@@:13]1([H:58])[C@@:4]([N:5]2:[C:6]([H:41]):[C:7]([H:42]):[C:8](=[O:9]):[N:10]([H:43]):[C:11]:2=[O:12])([H:44])[O:3][C@@:2]([C:1]([H:61])([H:62])[H:63])([H:40])[C@:37]1([O:38][H:59])[H:60].[P:15](=[O:16])([O:17][H:45])([O:18][C:19]([C@@:20]1([H:46])[O:21][C@:22]([N:23]2:[C:24]([H:47]):[N:25]:[C:26]3:[C:27]([N:28]([H:48])[H:49]):[N:29]:[C:30]([H:50]):[N:31]:[C:32]:2:3)([H:51])[C:33]([O:34][H:52])([H:53])[C@:35]1([O:36][H:54])[H:55])([H:56])[H:57])[O:39][H:64]