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EVODEX.1-P586

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:24]([N:23]([C:21]([C@@:8]([N:7]([C:5]([C:4]([C:3]([C@:2]([N:1]([H:65])[H:66])([C:28](=[O:29])[O:30][H:63])[H:64])([H:61])[H:62])([H:59])[H:60])=[O:6])[H:58])([C:9]([S:10][C:11]([C:12]1:[C:13]([H:45]):[C:14]([H:46]):[C:15]([N+:16](=[O:17])[O-:18]):[C:19]([H:47]):[C:20]:1[H:48])([H:49])[H:50])([H:51])[H:52])[H:57])=[O:22])[H:56])([C:25](=[O:26])[O:27][H:53])[H:54]>>[H]O[C:24]([N:23]([C:21]([C@@:8]([N:7]([C:5]([C:4]([C:3]([C@:2]([N:1]([H:65])[H:66])([C:28](=[O:29])[O:30][H:63])[H:64])([H:61])[H:62])([H:59])[H:60])=[O:6])[H:58])([C:9]([S:10][C:11]([C:12]1:[C:13]([H:45]):[C:14]([H:46]):[C:15]([N+:16](=[O:17])[O-:18]):[C:19]([H:47]):[C:20]:1[H:48])([H:49])[H:50])([H:51])[H:52])[H:57])=[O:22])[H:56])([C:25](=[O:26])[O:27][H:53])[H:54]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E409 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:4]-[#6:5](-[#6:6])(-[H:35])-[H]>>[#7:4]-[#6:5](-[#6:6])(-[#8]-[H])-[H:35]

EVODEX.1-C4 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N160 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:24](-[#7:23])(-[#6:25])-[H:54]>>[H]-[#8]-[#6:24](-[#7:23])(-[#6:25])-[H:54]

EVODEX.1-Em242 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:24](-[#7:23])-[#6:25]>>[H]-[#8]-[#6:24](-[#7:23])-[#6:25]

EVODEX.1-Cm32 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm240 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:24](-[#7:23])-[#6:25]>>[H]-[#8]-[#6:24](-[#7:23])-[#6:25]

Source Full Reactions

EVODEX.1-R552

Full Reaction Rendering

[H][C:24]([N:23]([C:21]([C@@:8]([N:7]([C:5]([C:4]([C:3]([C@:2]([N:1]([H:65])[H:66])([C:28](=[O:29])[O:30][H:63])[H:64])([H:61])[H:62])([H:59])[H:60])=[O:6])[H:58])([C:9]([S:10][C:11]([C:12]1:[C:13]([H:45]):[C:14]([H:46]):[C:15]([N+:16](=[O:17])[O-:18]):[C:19]([H:47]):[C:20]:1[H:48])([H:49])[H:50])([H:51])[H:52])[H:57])=[O:22])[H:56])([C:25](=[O:26])[O:27][H:53])[H:54].[H][O:40][C:39]1=[C:41]([O:42][H])[C:32](=[O:31])[O:33][C@@:34]1([C@@:35]([O:36][H:67])([C:37]([O:38][H:68])([H:69])[H:70])[H:71])[H:72].[O:43]=[O:44]>>[H][O:43][C:24]([N:23]([C:21]([C@@:8]([N:7]([C:5]([C:4]([C:3]([C@:2]([N:1]([H:65])[H:66])([C:28](=[O:29])[O:30][H:63])[H:64])([H:61])[H:62])([H:59])[H:60])=[O:6])[H:58])([C:9]([S:10][C:11]([C:12]1:[C:13]([H:45]):[C:14]([H:46]):[C:15]([N+:16](=[O:17])[O-:18]):[C:19]([H:47]):[C:20]:1[H:48])([H:49])[H:50])([H:51])[H:52])[H:57])=[O:22])[H:56])([C:25](=[O:26])[O:27][H:53])[H:54].[O:31]=[C:32]1[O:33][C@@:34]([C@@:35]([O:36][H:67])([C:37]([O:38][H:68])([H:69])[H:70])[H:71])([H:72])[C:39](=[O:40])[C:41]1=[O:42].[H][O:44][H]