EVODEX.1-P5221

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1](=[C:2]([N:3]([H:44])[H:45])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C@:12]1([H:46])[C:13]([H:47])([H:48])[C:14]([H:49])([H:50])[C:15]([H:51])([H:52])[N:16]1[C:17](=[O:18])[C:19]([N:20]([S:21](=[O:22])(=[O:23])[C:24]([C:25]1:[C:26]([H:53]):[C:27]([H:54]):[C:28]([H:55]):[C:29]([H:56]):[C:30]:1[H:57])([H:58])[H:59])[H:60])([H:61])[H:62])[H:63])([C:31](=[O:32])[N:33]([C:34]1:[C:35]([H:64]):[C:36]([H:65]):[C:37]([N+:38](=[O:39])[O-:40]):[C:41]([H:66]):[C:42]:1[H:67])[H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])[H:76])[H:77].[H][O:43][H:78]>>[H][N:33]([C:34]1:[C:35]([H:64]):[C:36]([H:65]):[C:37]([N+:38](=[O:39])[O-:40]):[C:41]([H:66]):[C:42]:1[H:67])[H:68].[N:1](=[C:2]([N:3]([H:44])[H:45])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C@:12]1([H:46])[C:13]([H:47])([H:48])[C:14]([H:49])([H:50])[C:15]([H:51])([H:52])[N:16]1[C:17](=[O:18])[C:19]([N:20]([S:21](=[O:22])(=[O:23])[C:24]([C:25]1:[C:26]([H:53]):[C:27]([H:54]):[C:28]([H:55]):[C:29]([H:56]):[C:30]:1[H:57])([H:58])[H:59])[H:60])([H:61])[H:62])[H:63])([C:31](=[O:32])[O:43][H:78])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])[H:76])[H:77]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E134 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#7:18](-[#6:19])-[H:33].[#8:28](-[H:65])-[H]>>[#6:15]-[#6:16](=[#8:17])-[#8:28]-[H:65].[#7:18](-[#6:19])(-[H:33])-[H]

EVODEX.1-C12 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N93 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:7]-[#6:8](=[#8:9])-[#7:10](-[#6:11])-[H:30].[H]-[#8:23]-[H:39]>>[#6:7]-[#6:8](=[#8:9])-[#8:23]-[H:39].[H]-[#7:10](-[#6:11])-[H:30]

EVODEX.1-Em51 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#7:8]-[#6:9].[H]-[#8:15]>>[#6:5]-[#6:6](=[#8:7])-[#8:15].[H]-[#7:8]-[#6:9]

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-Nm49 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:7]-[#6:8](=[#8:9])-[#7:10]-[#6:11].[H]-[#8:23]>>[#6:7]-[#6:8](=[#8:9])-[#8:23].[H]-[#7:10]-[#6:11]

Source Full Reactions

EVODEX.1-R5982

Full Reaction Rendering

[N:1](=[C:2]([N:3]([H:44])[H:45])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C@:12]1([H:46])[C:13]([H:47])([H:48])[C:14]([H:49])([H:50])[C:15]([H:51])([H:52])[N:16]1[C:17](=[O:18])[C:19]([N:20]([S:21](=[O:22])(=[O:23])[C:24]([C:25]1:[C:26]([H:53]):[C:27]([H:54]):[C:28]([H:55]):[C:29]([H:56]):[C:30]:1[H:57])([H:58])[H:59])[H:60])([H:61])[H:62])[H:63])([C:31](=[O:32])[N:33]([C:34]1:[C:35]([H:64]):[C:36]([H:65]):[C:37]([N+:38](=[O:39])[O-:40]):[C:41]([H:66]):[C:42]:1[H:67])[H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])[H:76])[H:77].[H][O:43][H:78]>>[H][N:33]([C:34]1:[C:35]([H:64]):[C:36]([H:65]):[C:37]([N+:38](=[O:39])[O-:40]):[C:41]([H:66]):[C:42]:1[H:67])[H:68].[N:1](=[C:2]([N:3]([H:44])[H:45])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C@:12]1([H:46])[C:13]([H:47])([H:48])[C:14]([H:49])([H:50])[C:15]([H:51])([H:52])[N:16]1[C:17](=[O:18])[C:19]([N:20]([S:21](=[O:22])(=[O:23])[C:24]([C:25]1:[C:26]([H:53]):[C:27]([H:54]):[C:28]([H:55]):[C:29]([H:56]):[C:30]:1[H:57])([H:58])[H:59])[H:60])([H:61])[H:62])[H:63])([C:31](=[O:32])[O:43][H:78])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])[H:76])[H:77]