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EVODEX.1-P2631

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][S:15][C:14]([C:13]([C:12]([H:21])([H:22])[H:23])([H:19])[H:20])([H:17])[H:18]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S:15][C:14]([C:13]([C:12]([H:21])([H:22])[H:23])([H:19])[H:20])([H:17])[H:18]

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-R3830

Full Reaction Rendering

[C:1](=[C:2]([C@:3]([N:4]([H:12])[H:13])([C:5](=[O:6])[O:7][H:14])[H:15])[H:16])([H:17])[H:18].[H][S:11][C:10]([C:9]([C:8]([H:24])([H:25])[H:26])([H:22])[H:23])([H:20])[H:21]>>[H][C:2]([C:1]([S:11][C:10]([C:9]([C:8]([H:24])([H:25])[H:26])([H:22])[H:23])([H:20])[H:21])([H:17])[H:18])([C@:3]([N:4]([H:12])[H:13])([C:5](=[O:6])[O:7][H:14])[H:15])[H:16]

EVODEX.1-R3370

Full Reaction Rendering

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