EVODEX.1-P3294

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E163 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#6:20].[#15:36]-[#8:37]-[H]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:37]-[#15:36].[#8:19](-[#6:20])-[H]

EVODEX.1-C1078 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:12].[#6@:8]).[#15:18]-[#8:21]>>([#8:12]-[#15:18].[#6@@:8]).[H]-[#8:21]

EVODEX.1-N1626 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#8:14]-[#15:12].[#8:8]-[#6@@:7](-[#6@:9])(-[H:43])-[#6:6]).[#8:22]=[#15:23](-[#8:24])(-[#8:25])-[#8:26]-[#6:27]>>([#6:6]-[#6@@:7](-[#8:8])(-[H:43])-[#6@:9].[#15:12]-[#8:14]-[#15:23](=[#8:22])(-[#8:24])-[#8:25]).[H]-[#8:26]-[#6:27]

EVODEX.1-Em65 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:144]-[#8:145]-[#15:146](=[#8:147])(-[#8:148])-[#8:149].[H]-[#8:122]-[#15:120]>>[H]-[#8:145]-[#6:144].[#15:120]-[#8:122]-[#15:146](=[#8:147])(-[#8:148])-[#8:149]

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-Nm78 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:144]-[#8:145]-[#15:146](=[#8:147])(-[#8:148])-[#8:149].[H]-[#8:122]-[#15:120]>>[H]-[#8:145]-[#6:144].[#15:120]-[#8:122]-[#15:146](=[#8:147])(-[#8:148])-[#8:149]

Source Full Reactions

EVODEX.1-R3936

Full Reaction Rendering

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