EVODEX Logo

EVODEX.1-P3042

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

O=[C:14]([C:13]([C:12]([S:11][C:10]([H:24])([H:25])[H:26])([H:22])[H:23])([H:20])[H:21])[C:16](=[O:17])[O:18][H:19].[H]OC(=O)[C@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[N:6]([H:30])[H:31]>>[H][C@:14]([N:6]([H:30])[H:31])([C:13]([C:12]([S:11][C:10]([H:24])([H:25])[H:26])([H:22])[H:23])([H:20])[H:21])[C:16](=[O:17])[O:18][H:19]

Derived Operators

EVODEX.1-F42 - Elemental Balance

O-3
C-6
H-10

EVODEX.1-M208 - Mass Difference

-130.06300000000002

EVODEX.1-E518 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@@](-[#7:6](-[H:24])-[H:25])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H].[#6:15]-[#6:16](=[#8])-[#6:18]=[#8:19]>>[#7:6](-[#6:16](-[#6:15])(-[#6:18]=[#8:19])-[H])(-[H:24])-[H:25]

EVODEX.1-C443 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#7:6].[#8]=[#6:15]>>[H]-[#6@:15]-[#7:6]

EVODEX.1-N540 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#7:6](-[H:23])-[H:24].[#8]=[#6:15](-[#6:14])-[#6:17]>>[H]-[#6@:15](-[#7:6](-[H:23])-[H:24])(-[#6:14])-[#6:17]

EVODEX.1-Em19 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]=[#8:18]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]=[#8:18]

EVODEX.1-Cm21 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:3].[#8]=[#6:19]>>[H]-[#6:19]-[#7:3]

EVODEX.1-Nm15 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]

Source Full Reactions

EVODEX.1-R3694

Full Reaction Rendering

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