EVODEX.1-P2142

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E215 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:7](-[#6@@:6])(-[#6:8](=[#8:9])-[#6:10])-[H:40].[#7:24](-[#6:25])(-[H:50])-[H]>>[#6:8](=[#8:9])(-[#6:10])-[#7:24](-[#6:25])-[H:50].[#7:7](-[#6@@:6])(-[H:40])-[H]

EVODEX.1-C13 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#7:3].[H]-[#7:5]>>[#6:2]-[#7:5].[H]-[#7:3]

EVODEX.1-N425 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:23](-[#6@:22])(=[#8:24])-[#7:25](-[#6@@:26])-[H:202].[H]-[#7:85](-[#6:86])-[H:240]>>[#6:23](-[#6@:22])(=[#8:24])-[#7:85](-[#6:86])-[H:240].[H]-[#7:25](-[#6@@:26])-[H:202]

EVODEX.1-Em97 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:22]-[#6:23](=[#8:24])-[#7:25]-[#6:26].[H]-[#7:85]-[#6:86]>>[#6:22]-[#6:23](=[#8:24])-[#7:85]-[#6:86].[H]-[#7:25]-[#6:26]

EVODEX.1-Cm47 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#7:3].[H]-[#7:5]>>[#6:2]-[#7:5].[H]-[#7:3]

EVODEX.1-Nm130 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:22]-[#6:23](=[#8:24])-[#7:25]-[#6:26].[H]-[#7:85]-[#6:86]>>[#6:22]-[#6:23](=[#8:24])-[#7:85]-[#6:86].[H]-[#7:25]-[#6:26]

Source Full Reactions

EVODEX.1-R2892

Full Reaction Rendering

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