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EVODEX.1-P2628

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][S:14][C:13]([C:12]([H:18])([H:19])[H:20])([H:16])[H:17]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S:14][C:13]([C:12]([H:18])([H:19])[H:20])([H:16])[H:17]

Derived Operators

EVODEX.1-F160 - Elemental Balance

O2
C4
N1
H7

EVODEX.1-M68 - Mass Difference

101.04771

EVODEX.1-E824 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:13]-[#16:15]-[H]>>[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[#16:15]-[#6:13])(-[H])-[H]

EVODEX.1-C404 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#16:12]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16:12]

EVODEX.1-N485 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#16:12]-[#6:13]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16:12]-[#6:13]

EVODEX.1-Em29 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#16:13]-[#6:12]>>[#6]-[#6](-[H])(-[H])-[#16:13]-[#6:12]

EVODEX.1-Cm27 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#16:13]>>[#6]-[#16:13]

EVODEX.1-Nm29 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#16:13]-[#6:12]>>[#6]-[#6](-[H])(-[H])-[#16:13]-[#6:12]

Source Full Reactions

EVODEX.1-R3829

Full Reaction Rendering

[C:1](=[C:2]([C@:3]([N:4]([H:11])[H:12])([C:5](=[O:6])[O:7][H:13])[H:14])[H:15])([H:16])[H:17].[H][S:10][C:9]([C:8]([H:21])([H:22])[H:23])([H:19])[H:20]>>[H][C:2]([C:1]([S:10][C:9]([C:8]([H:21])([H:22])[H:23])([H:19])[H:20])([H:16])[H:17])([C@:3]([N:4]([H:11])[H:12])([C:5](=[O:6])[O:7][H:13])[H:14])[H:15]

EVODEX.1-R3368

Full Reaction Rendering

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