EVODEX.1-P2374

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:41])[C@:6]([O:7][P:8](=[O:9])([O:10][H:42])[O:11][P:12](=[O:13])([O:14][H:43])[O:15][C:16]([C@@:17]2([H:44])[O:18][C@:19]([N:20]3:[C:21]([H:45]):[C:22]([H:46]):[C:23](=[O:24]):[N:25]([H:47]):[C:26]:3=[O:27])([H:48])[C@@:28]([O:29][H:49])([H:50])[C@@:30]2([O:31][H:51])[H:52])([H:53])[H:54])([H:55])[O:32][C@@:33]([C:34]([O:35][H:56])([H:57])[H:58])([H:59])[C@:36]([O:37][H:60])([H:61])[C@@:38]1([O:39][H:62])[H:63])[H:64])([H:65])([H:66])[H:67].[H][O:40][H:68]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:41])[C:6]([O:40][H:68])([H:55])[O:32][C@@:33]([C:34]([O:35][H:56])([H:57])[H:58])([H:59])[C@:36]([O:37][H:60])([H:61])[C@@:38]1([O:39][H:62])[H:63])[H:64])([H:65])([H:66])[H:67].[H][O:7][P:8](=[O:9])([O:10][H:42])[O:11][P:12](=[O:13])([O:14][H:43])[O:15][C:16]([C@@:17]1([H:44])[O:18][C@:19]([N:20]2:[C:21]([H:45]):[C:22]([H:46]):[C:23](=[O:24]):[N:25]([H:47]):[C:26]:2=[O:27])([H:48])[C@@:28]([O:29][H:49])([H:50])[C@@:30]1([O:31][H:51])[H:52])([H:53])[H:54]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E181 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:18]-[#8:21]-[#6:22](-[H:45])(-[#8:23])-[#6@@:31].[#8:40](-[H:66])-[H]>>[#8:40](-[#6@@:22](-[H:45])(-[#8:23])-[#6@@:31])-[H:66].[#15:18]-[#8:21]-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N457 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:7](-[#6@@:6](-[#6@@:5])(-[H:45])-[#8:23])-[#15:8].[H]-[#8:31]-[H:57]>>[#8:31](-[#6@@:6](-[#6@@:5])(-[H:45])-[#8:23])-[H:57].[H]-[#8:7]-[#15:8]

EVODEX.1-Em499 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6](-[#8:7]-[#15:8])-[#8:23].[H]-[#8:31]>>[#6:5]-[#6:6](-[#8:31])-[#8:23].[H]-[#8:7]-[#15:8]

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-Nm450 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6](-[#8:7]-[#15:8])-[#8:23].[H]-[#8:31]>>[#6:5]-[#6:6](-[#8:31])-[#8:23].[H]-[#8:7]-[#15:8]

Source Full Reactions

EVODEX.1-R3104

Full Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:41])[C@:6]([O:7][P:8](=[O:9])([O:10][H:42])[O:11][P:12](=[O:13])([O:14][H:43])[O:15][C:16]([C@@:17]2([H:44])[O:18][C@:19]([N:20]3:[C:21]([H:45]):[C:22]([H:46]):[C:23](=[O:24]):[N:25]([H:47]):[C:26]:3=[O:27])([H:48])[C@@:28]([O:29][H:49])([H:50])[C@@:30]2([O:31][H:51])[H:52])([H:53])[H:54])([H:55])[O:32][C@@:33]([C:34]([O:35][H:56])([H:57])[H:58])([H:59])[C@:36]([O:37][H:60])([H:61])[C@@:38]1([O:39][H:62])[H:63])[H:64])([H:65])([H:66])[H:67].[H][O:40][H:68]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:41])[C:6]([O:40][H:68])([H:55])[O:32][C@@:33]([C:34]([O:35][H:56])([H:57])[H:58])([H:59])[C@:36]([O:37][H:60])([H:61])[C@@:38]1([O:39][H:62])[H:63])[H:64])([H:65])([H:66])[H:67].[H][O:7][P:8](=[O:9])([O:10][H:42])[O:11][P:12](=[O:13])([O:14][H:43])[O:15][C:16]([C@@:17]1([H:44])[O:18][C@:19]([N:20]2:[C:21]([H:45]):[C:22]([H:46]):[C:23](=[O:24]):[N:25]([H:47]):[C:26]:2=[O:27])([H:48])[C@@:28]([O:29][H:49])([H:50])[C@@:30]1([O:31][H:51])[H:52])([H:53])[H:54]