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EVODEX.1-P6514

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)O[H])[N:6]([C:7]1:[N:8]:[C:9]([H:33]):[N:10]:[C:11]2:[C:12]:1:[N:13]:[C:14]([H:34]):[N:15]:2[C@@:16]([C:17]([O:18][H:35])([H:36])[H:37])([O:19][C@@:20]([C:21]([O:22][H:38])([H:39])[H:40])([C:23]([O:24][P:25](=[O:26])([O:27][H:41])[O:28][H:42])([H:43])[H:44])[H:45])[H:46])[H:47]>>[H][N:6]([C:7]1:[N:8]:[C:9]([H:33]):[N:10]:[C:11]2:[C:12]:1:[N:13]:[C:14]([H:34]):[N:15]:2[C@@:16]([C:17]([O:18][H:35])([H:36])[H:37])([O:19][C@@:20]([C:21]([O:22][H:38])([H:39])[H:40])([C:23]([O:24][P:25](=[O:26])([O:27][H:41])[O:28][H:42])([H:43])[H:44])[H:45])[H:46])[H:47]

Derived Operators

EVODEX.1-F250 - Elemental Balance

O-4
C-4
H-4

EVODEX.1-M305 - Mass Difference

-116.01092

EVODEX.1-E974 - Reaction Operator E

Reaction Operator E SMIRKS

[#8]=[#6](-[#8]-[H])-[#6](-[#6@](-[#7:6](-[#6:7])-[H:47])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]>>[#7:6](-[#6:7])(-[H:47])-[H]

EVODEX.1-C243 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N230 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:6](-[#6:7])-[H:47]>>[H]-[#7:6](-[#6:7])-[H:47]

EVODEX.1-Em83 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm112 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R7095

Full Reaction Rendering

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