EVODEX Logo

EVODEX.1-P5018

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C([H])([H])O[C:3](=[O:4])[C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:30]):[C:14]([H:31]):[C:15]([H:32]):[C:16]([H:33]):[C:17]:1[H:34])([H:35])[H:36])[H:37])([C:18](=[O:19])[O:20][H:38])[H:39])([H:40])[H:41].[H][N:21]([C@@:22]([C:23]([C:24](=[O:25])[O:26][H:45])([H:46])[H:47])([C:27](=[O:28])[O:29][H:48])[H:49])[H:50]>>[C:3](=[O:4])([C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:30]):[C:14]([H:31]):[C:15]([H:32]):[C:16]([H:33]):[C:17]:1[H:34])([H:35])[H:36])[H:37])([C:18](=[O:19])[O:20][H:38])[H:39])([H:40])[H:41])[N:21]([C@@:22]([C:23]([C:24](=[O:25])[O:26][H:45])([H:46])[H:47])([C:27](=[O:28])[O:29][H:48])[H:49])[H:50]

Derived Operators

EVODEX.1-F406 - Elemental Balance

O-1
C-1
H-4

EVODEX.1-M158 - Mass Difference

-32.02622

EVODEX.1-E1211 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#8]-[#6:16](=[#8:17])-[#6@:18])(-[H])(-[H])-[H].[#6:12]-[#7:13](-[H:42])-[H]>>[#6:12]-[#7:13](-[#6:16](=[#8:17])-[#6@:18])-[H:42]

EVODEX.1-C179 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](-[H])(-[H])-[#8]-[#6:3].[H]-[#7:28]>>[#6:3]-[#7:28]

EVODEX.1-N92 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#8]-[#6:3](=[#8:4])-[#6@:5].[H]-[#7:28](-[#6@:27])-[H:61]>>[#6:3](=[#8:4])(-[#6@:5])-[#7:28](-[#6@:27])-[H:61]

EVODEX.1-Em49 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#8]-[#6:4](=[#8:5])-[#6:6].[H]-[#7:23]-[#6:24]>>[#6:4](=[#8:5])(-[#6:6])-[#7:23]-[#6:24]

EVODEX.1-Cm19 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8]-[#6:42].[H]-[#7:47]>>[#6:42]-[#7:47]

EVODEX.1-Nm58 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#8]-[#6:4](=[#8:5])-[#6:6].[H]-[#7:23]-[#6:24]>>[#6:4](=[#8:5])(-[#6:6])-[#7:23]-[#6:24]

Source Full Reactions

EVODEX.1-R5799

Full Reaction Rendering

[C:1]([O:2][C:3](=[O:4])[C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:30]):[C:14]([H:31]):[C:15]([H:32]):[C:16]([H:33]):[C:17]:1[H:34])([H:35])[H:36])[H:37])([C:18](=[O:19])[O:20][H:38])[H:39])([H:40])[H:41])([H:42])([H:43])[H:44].[H][N:21]([C@@:22]([C:23]([C:24](=[O:25])[O:26][H:45])([H:46])[H:47])([C:27](=[O:28])[O:29][H:48])[H:49])[H:50]>>[C:3](=[O:4])([C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:30]):[C:14]([H:31]):[C:15]([H:32]):[C:16]([H:33]):[C:17]:1[H:34])([H:35])[H:36])[H:37])([C:18](=[O:19])[O:20][H:38])[H:39])([H:40])[H:41])[N:21]([C@@:22]([C:23]([C:24](=[O:25])[O:26][H:45])([H:46])[H:47])([C:27](=[O:28])[O:29][H:48])[H:49])[H:50].[H][O:2][C:1]([H:42])([H:43])[H:44]