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EVODEX.1-P4570

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])[C@]([H])(C(=O)[N:9]([C@@:10]([C:11]([C:12]([C:13]([H:21])([H:22])[H:23])([C:14]([H:24])([H:25])[H:26])[H:27])([H:28])[H:29])([C:15](=[O:16])[O:17][H:30])[H:31])[H:32])C([H])([H])C([H])([H])SC([H])([H])[H]>>[H][N:9]([C@@:10]([C:11]([C:12]([C:13]([H:21])([H:22])[H:23])([C:14]([H:24])([H:25])[H:26])[H:27])([H:28])[H:29])([C:15](=[O:16])[O:17][H:30])[H:31])[H:32]

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-E1282 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:14](-[#6@:9])(-[#6](=[#8])-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6](-[#16]-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H:166]>>[#7:14](-[#6@:9])(-[H:166])-[H]

EVODEX.1-C543 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:18])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H]>>[H]-[#7:18]

EVODEX.1-N694 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:18](-[#6:17])-[H:48])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H]>>[H]-[#7:18](-[#6:17])-[H:48]

EVODEX.1-Em1 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm1 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R5404

Full Reaction Rendering

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