EVODEX Logo

EVODEX.1-P4878

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[O:13][C:14]([C:15]1:[C:16]([H:25]):[C:17]([H:26]):[C:18]([H:27]):[C:19]([H:28]):[C:20]:1[H:29])([H:30])[H:31])[H:32])([H:33])[H:34])C([H])([H])C([H])([H])SC([H])([H])[H]>>[H]O[C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[O:13][C:14]([C:15]1:[C:16]([H:25]):[C:17]([H:26]):[C:18]([H:27]):[C:19]([H:28]):[C:20]:1[H:29])([H:30])[H:31])[H:32])([H:33])[H:34]

Derived Operators

EVODEX.1-F469 - Elemental Balance

O-1
C-5
S-1
N-1
H-9

EVODEX.1-M164 - Mass Difference

-131.04057

EVODEX.1-E1283 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#7](-[#6@@](-[#6](-[#6](-[#16]-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#8]-[H]

EVODEX.1-C548 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:10]

EVODEX.1-N700 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10](-[#6:9])=[#8:11])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:10](-[#6:9])=[#8:11]

EVODEX.1-Em3 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]

EVODEX.1-Cm4 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]-[#6:42]>>[#8]-[#6:42]

EVODEX.1-Nm3 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]

Source Full Reactions

EVODEX.1-R5670

Full Reaction Rendering

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