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EVODEX.1-P4649

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])[C@]([H])(C(=O)[N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:46])([H:47])[H:48])([H:44])[H:45])([H:42])[H:43])([C:15](=[O:16])[N:17]([C@@:18]([C:19]([H:35])([H:36])[H:37])([C:20](=[O:21])[O:22][H:38])[H:39])[H:40])[H:41])[H:34])C([H])([H])C([H])([H])SC([H])([H])[H]>>[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:46])([H:47])[H:48])([H:44])[H:45])([H:42])[H:43])([C:15](=[O:16])[N:17]([C@@:18]([C:19]([H:35])([H:36])[H:37])([C:20](=[O:21])[O:22][H:38])[H:39])[H:40])[H:41])[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-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-R5470

Full Reaction Rendering

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