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EVODEX.1-P2130

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E301 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:19](-[#6@:18])(-[H:55])-[H].[#7:35]-[#6@@:36](-[#6:37]-[#6:38]-[#6:39](=[#8:40])-[#7:41](-[#6@@:42])-[H:103])(-[#6:52])-[H:109]>>[#7:19](-[#6@:18])(-[#6:39](-[#6:38]-[#6:37]-[#6@:36](-[#7:35])(-[#6:52])-[H:109])=[#8:40])-[H:55].[#7:41](-[#6@@:42])(-[H:103])-[H]

EVODEX.1-C1229 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#7:11].[#6@@:2]).([#6:19]-[#7:21].[#6@@:16])>>([#7:11]-[#6:19].[#6@:2].[#6@:16]).[H]-[#7:21]

EVODEX.1-N1525 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#7:11](-[#6:10])-[H:34].[#7:3]-[#6@@:2](-[#6:1])(-[#6:12])-[H:43]).[#7:15]-[#6@@:16](-[#6:17]-[#6:18]-[#6:19](=[#8:20])-[#7:21](-[#6:22])-[H:51])(-[#6:31])-[H:57]>>([#6:1]-[#6@:2](-[#7:3])(-[#6:12])-[H:43].[#6:10]-[#7:11](-[#6:19](-[#6:18]-[#6:17]-[#6@:16](-[#7:15])(-[#6:31])-[H:57])=[#8:20])-[H:34]).[H]-[#7:21](-[#6:22])-[H:51]

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-R2880

Full Reaction Rendering

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