EVODEX.1-P4172

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E177 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:6](-[#6@@:5])(-[#6:7](=[#8:8])-[#8:9])-[H:28].[#8:20](-[H:38])-[H]>>[#6:7](=[#8:8])(-[#8:9])-[#8:20]-[H:38].[#7:6](-[#6@@:5])(-[H:28])-[H]

EVODEX.1-C77 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#7:6]-[#6:7].[H]-[#8:56]>>[H]-[#7:6]-[#6@:5].[#6:7]-[#8:56]

EVODEX.1-N1243 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:7]-[#6@:8](-[#7:9](-[#6:10](=[#8:11])-[#8:12])-[H:43])(-[#6:20])-[H:50].[H]-[#8:33]-[H:59]>>[#6:10](=[#8:11])(-[#8:12])-[#8:33]-[H:59].[H]-[#7:9](-[#6@@:8](-[#6:7])(-[#6:20])-[H:50])-[H:43]

EVODEX.1-Em618 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:16]-[#7:18]-[#6:19](=[#8:20])-[#8:21].[H]-[#8:29]>>[#6:19](=[#8:20])(-[#8:21])-[#8:29].[H]-[#7:18]-[#6:16]

EVODEX.1-Cm24 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-Nm553 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:16]-[#7:18]-[#6:19](=[#8:20])-[#8:21].[H]-[#8:29]>>[#6:19](=[#8:20])(-[#8:21])-[#8:29].[H]-[#7:18]-[#6:16]

Source Full Reactions

EVODEX.1-R5010

Full Reaction Rendering

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