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EVODEX.1-P6509

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)O[H])[N:6]([C:4]([C:3]1:[C:2]([N:1]([H:48])[H:49]):[N:17]([C@:18]2([H:38])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:39])[O:26][H:40])([H:41])[H:42])([H:43])[C@:27]([O:28][H:44])([H:45])[C@:29]2([O:30][H:46])[H:47]):[C:16]([H:37]):[N:15]:1)=[O:5])[H:36]>>[H][N:6]([C:4]([C:3]1:[C:2]([N:1]([H:48])[H:49]):[N:17]([C@:18]2([H:38])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:39])[O:26][H:40])([H:41])[H:42])([H:43])[C@:27]([O:28][H:44])([H:45])[C@:29]2([O:30][H:46])[H:47]):[C:16]([H:37]):[N:15]:1)=[O:5])[H:36]

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-R7090

Full Reaction Rendering

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