EVODEX.1-P2127

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R2877

Full Reaction Rendering

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