EVODEX.1-P4544

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1](=[C:2]1:[N:3]([H:28]):[C:4]([H:29]):[C:5]([H:30]):[C:6]2:[C:7]:1:[N:8]:[C:9]([H:31]):[N:10]:2[C@:11]1([H:32])[O:12][C@@:13]([C:14]([S:15][C:16]([C:17]([C@:18]([N:19]([H:33])[H:34])([C:20](=[O:21])[O:22][H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[C@:23]([O:24][H:44])([H:45])[C@:25]1([O:26][H:46])[H:47])[H:48].[H][O:27][H:49]>>[N:1](=[C:2]1:[N:3]([H:28]):[C:4]([H:29]):[C:5]([H:30]):[C:6]2:[C:7]:1:[N:8]:[C:9]([H:31]):[N:10]:2[C@:11]1([H:32])[O:12][C@@:13]([C:14]([O:27][H:49])([H:41])[H:42])([H:43])[C@:23]([O:24][H:44])([H:45])[C@:25]1([O:26][H:46])[H:47])[H:48].[H][S:15][C:16]([C:17]([C@:18]([N:19]([H:33])[H:34])([C:20](=[O:21])[O:22][H:35])[H:36])([H:37])[H:38])([H:39])[H:40]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E121 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#16:4]-[#6:5](-[#6@:6])(-[H:16])-[H:17].[#8:11](-[H:24])-[H]>>[#6:5](-[#6@:6])(-[#8:11]-[H:24])(-[H:16])-[H:17].[#6:3]-[#16:4]-[H]

EVODEX.1-C2 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-N648 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:6]-[#6:7](-[#16:8]-[#6:9])(-[H:45])-[H:46].[H]-[#8:28]-[H:60]>>[#6:6]-[#6:7](-[#8:28]-[H:60])(-[H:45])-[H:46].[H]-[#16:8]-[#6:9]

EVODEX.1-Em612 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:6]-[#6:7]-[#16:8]-[#6:9].[H]-[#8:28]>>[#6:6]-[#6:7]-[#8:28].[H]-[#16:8]-[#6:9]

EVODEX.1-Cm23 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-Nm547 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:6]-[#6:7]-[#16:8]-[#6:9].[H]-[#8:28]>>[#6:6]-[#6:7]-[#8:28].[H]-[#16:8]-[#6:9]

Source Full Reactions

EVODEX.1-R5381

Full Reaction Rendering

[N:1](=[C:2]1:[N:3]([H:28]):[C:4]([H:29]):[C:5]([H:30]):[C:6]2:[C:7]:1:[N:8]:[C:9]([H:31]):[N:10]:2[C@:11]1([H:32])[O:12][C@@:13]([C:14]([S:15][C:16]([C:17]([C@:18]([N:19]([H:33])[H:34])([C:20](=[O:21])[O:22][H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[C@:23]([O:24][H:44])([H:45])[C@:25]1([O:26][H:46])[H:47])[H:48].[H][O:27][H:49]>>[N:1](=[C:2]1:[N:3]([H:28]):[C:4]([H:29]):[C:5]([H:30]):[C:6]2:[C:7]:1:[N:8]:[C:9]([H:31]):[N:10]:2[C@:11]1([H:32])[O:12][C@@:13]([C:14]([O:27][H:49])([H:41])[H:42])([H:43])[C@:23]([O:24][H:44])([H:45])[C@:25]1([O:26][H:46])[H:47])[H:48].[H][S:15][C:16]([C:17]([C@:18]([N:19]([H:33])[H:34])([C:20](=[O:21])[O:22][H:35])[H:36])([H:37])[H:38])([H:39])[H:40]