EVODEX Logo

EVODEX.1-P2141

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:10]([C@@:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:32])([H:33])[H:34])([H:35])[H:36])([C:17](=[O:18])[O:19][C:20]1:[C:21]([H:37]):[C:22]([H:38]):[C:23]([N+:24](=[O:25])[O-:26]):[C:27]([C:28](=[O:29])[O:30][H:39]):[C:31]:1[H:40])[H:41])[H:42]>>[H]N([H])C([H])([H])C(=O)[N:10]([C@@:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:32])([H:33])[H:34])([H:35])[H:36])([C:17](=[O:18])[O:19][C:20]1:[C:21]([H:37]):[C:22]([H:38]):[C:23]([N+:24](=[O:25])[O-:26]):[C:27]([C:28](=[O:29])[O:30][H:39]):[C:31]:1[H:40])[H:41])[H:42]

Derived Operators

EVODEX.1-F224 - Elemental Balance

O1
C2
N1
H3

EVODEX.1-M134 - Mass Difference

57.02149000000001

EVODEX.1-E940 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:6](-[#6@:7])(-[H:84])-[H]>>[#7](-[#6](-[#6](=[#8])-[#7:6](-[#6@:7])-[H:84])(-[H])-[H])(-[H])-[H]

EVODEX.1-C369 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:6]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6]

EVODEX.1-N428 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:6](-[#6@:7])-[H:84]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6](-[#6@:7])-[H:84]

EVODEX.1-Em4 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:6]-[#6:7]>>[#6]-[#6](=[#8])-[#7:6]-[#6:7]

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:6]>>[#6]-[#7:6]

EVODEX.1-Nm4 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:6]-[#6:7]>>[#6]-[#6](=[#8])-[#7:6]-[#6:7]

Source Full Reactions

EVODEX.1-R2891

Full Reaction Rendering

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