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EVODEX.1-P3729

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:12]([C:13]1:[N:14]:[C:15]([H:43]):[N:16]:[C:17]2:[C:18]:1:[N:19]:[C:20]([H:44]):[N:21]:2[C@:22]1([H:45])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:46])[O:30][S:31](=[O:32])(=[O:33])[O:34][H:47])([H:48])[H:49])([H:50])[C@:35]([O:36][P:37](=[O:38])([O:39][H:51])[O:40][H:52])([H:53])[C@:41]1([O:42][H:54])[H:55])([H:56])[H:57].[H][N:1]([C:2]1:[C:3]([H:58]):[C:4]([H:59]):[C:5]2:[C:6]([H:60]):[C:7]([H:61]):[C:8]([H:62]):[C:9]([H:63]):[C:10]:2:[C:11]:1[H:64])[H:65]>>[H][O:30][P:27]([O:26][C:25]([C@@:24]1([H:50])[O:23][C@:22]([N:21]2:[C:17]3:[N:16]:[C:15]([H:43]):[N:14]:[C:13]([N:12]([H:56])[H:57]):[C:18]:3:[N:19]:[C:20]:2[H:44])([H:45])[C@@:41]([O:42][H:54])([H:55])[C@@:35]1([O:36][P:37](=[O:38])([O:39][H:51])[O:40][H:52])[H:53])([H:48])[H:49])(=[O:28])[O:29][H:46].[N:1]([C:2]1:[C:3]([H:58]):[C:4]([H:59]):[C:5]2:[C:6]([H:60]):[C:7]([H:61]):[C:8]([H:62]):[C:9]([H:63]):[C:10]:2:[C:11]:1[H:64])([S:31](=[O:32])(=[O:33])[O:34][H:47])[H:65]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E265 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:29]-[#8:32]-[#16:33](=[#8:34])(=[#8:35])-[#8:36].[#7:1](-[#6:2])(-[H:70])-[H]>>[#15:29]-[#8:32]-[H].[#7:1](-[#6:2])(-[#16:33](=[#8:34])(=[#8:35])-[#8:36])-[H:70]

EVODEX.1-C480 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:32]-[#16:33].[#6@:37]-[#6@:43]).[H]-[#7:1]>>([H]-[#8:32].[#6@@:43]-[#6@@:37]).[#7:1]-[#16:33]

EVODEX.1-N589 - Reaction Operator N

Reaction Operator N SMIRKS

([#15:29]-[#8:32]-[#16:33](=[#8:34])(=[#8:35])-[#8:36].[#8:38]-[#6@@:37](-[#6@@:26])(-[H:55])-[#6@:43](-[#6@:24])(-[#8:44])-[H:57]).[H]-[#7:1](-[#6:2])-[H:70]>>([H]-[#8:32]-[#15:29].[#8:44]-[#6@:43](-[#6@:24])(-[H:57])-[#6@@:37](-[#6@@:26])(-[#8:38])-[H:55]).[#7:1](-[#6:2])(-[#16:33](=[#8:34])(=[#8:35])-[#8:36])-[H:70]

EVODEX.1-Em566 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:29]-[#8:32]-[#16:33](=[#8:34])(=[#8:35])-[#8:36].[H]-[#7:1]-[#6:2]>>[H]-[#8:32]-[#15:29].[#7:1](-[#6:2])-[#16:33](=[#8:34])(=[#8:35])-[#8:36]

EVODEX.1-Cm256 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:32]-[#16:33].[H]-[#7:1]>>[H]-[#8:32].[#7:1]-[#16:33]

EVODEX.1-Nm512 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:29]-[#8:32]-[#16:33](=[#8:34])(=[#8:35])-[#8:36].[H]-[#7:1]-[#6:2]>>[H]-[#8:32]-[#15:29].[#7:1](-[#6:2])-[#16:33](=[#8:34])(=[#8:35])-[#8:36]

Source Full Reactions

EVODEX.1-R4550

Full Reaction Rendering

[N:12]([C:13]1:[N:14]:[C:15]([H:43]):[N:16]:[C:17]2:[C:18]:1:[N:19]:[C:20]([H:44]):[N:21]:2[C@:22]1([H:45])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:46])[O:30][S:31](=[O:32])(=[O:33])[O:34][H:47])([H:48])[H:49])([H:50])[C@:35]([O:36][P:37](=[O:38])([O:39][H:51])[O:40][H:52])([H:53])[C@:41]1([O:42][H:54])[H:55])([H:56])[H:57].[H][N:1]([C:2]1:[C:3]([H:58]):[C:4]([H:59]):[C:5]2:[C:6]([H:60]):[C:7]([H:61]):[C:8]([H:62]):[C:9]([H:63]):[C:10]:2:[C:11]:1[H:64])[H:65]>>[H][O:30][P:27]([O:26][C:25]([C@@:24]1([H:50])[O:23][C@:22]([N:21]2:[C:17]3:[N:16]:[C:15]([H:43]):[N:14]:[C:13]([N:12]([H:56])[H:57]):[C:18]:3:[N:19]:[C:20]:2[H:44])([H:45])[C@@:41]([O:42][H:54])([H:55])[C@@:35]1([O:36][P:37](=[O:38])([O:39][H:51])[O:40][H:52])[H:53])([H:48])[H:49])(=[O:28])[O:29][H:46].[N:1]([C:2]1:[C:3]([H:58]):[C:4]([H:59]):[C:5]2:[C:6]([H:60]):[C:7]([H:61]):[C:8]([H:62]):[C:9]([H:63]):[C:10]:2:[C:11]:1[H:64])([S:31](=[O:32])(=[O:33])[O:34][H:47])[H:65]