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EVODEX.1-P3163

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

O=[C:6]([C:5]([C:4]([S:3][C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])[C:8](=[O:9])[O:10][H:23].[H]OC(=O)[C@]([H])(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])[N:11]([H:42])[H:43]>>[H][C@:6]([C:5]([C:4]([S:3][C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])([C:8](=[O:9])[O:10][H:23])[N:11]([H:42])[H:43]

Derived Operators

EVODEX.1-F430 - Elemental Balance

O-3
C-9
H-8

EVODEX.1-M417 - Mass Difference

-164.04734

EVODEX.1-E1240 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:5](=[#8])-[#6:7]=[#8:8].[#7:10](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:39])-[H:40]>>[#6:2]-[#6:5](-[#6:7]=[#8:8])(-[#7:10](-[H:39])-[H:40])-[H]

EVODEX.1-C453 - Reaction Operator C

Reaction Operator C SMIRKS

[#8]=[#6:5].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[#7:10]>>[H]-[#6@:5]-[#7:10]

EVODEX.1-N550 - Reaction Operator N

Reaction Operator N SMIRKS

[#8]=[#6:5](-[#6:4])-[#6:7].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[#7:10](-[H:36])-[H:37]>>[H]-[#6@:5](-[#6:4])(-[#6:7])-[#7:10](-[H:36])-[H:37]

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-R3812

Full Reaction Rendering

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