EVODEX.1-P162

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E304 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:23]-[#6:24](-[#8:25]-[H])(-[H:33])-[H].[#6:3]1=[#6:4]-[#6:7](=[#8:8])-[#6:9]=[#6:15]-[#6:17]-1=[#8:18]>>[#6:23]-[#6:24](=[#8:25])-[H:33].[#6:3]1:[#6:4]:[#6:7](-[#8:8]-[H]):[#6:9]:[#6:15]:[#6:17]:1-[#8:18]-[H]

EVODEX.1-C72 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:1].[#8:6]).[H]-[#6@:13]-[#8:14]-[H]>>[#6:13]=[#8:14].([H]-[#8:1].[#8:6]-[H])

EVODEX.1-N117 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:5](-[#6:4])(-[#8:6]-[H])-[H:74].([#6:13]=[#8:14].[#6:68]=[#8:69])>>[#6:4]-[#6:5](=[#8:6])-[H:74].([H]-[#8:14]-[#6:13].[#6:68]-[#8:69]-[H])

EVODEX.1-Em196 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:5](-[#6:4])-[#8:6]-[H].[#6:9]1=[#6:10]-[#6:13](=[#8:14])-[#6:15]=[#6:66]-[#6:68]-1=[#8:69]>>[#6:4]-[#6:5]=[#8:6].[H]-[#8:14]-[#6:13]1:[#6:10]:[#6:9]:[#6:68](-[#8:69]-[H]):[#6:66]:[#6:15]:1

EVODEX.1-Cm76 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([#8:1].[#8:6]).[H]-[#6:13]-[#8:14]-[H]>>[#6:13]=[#8:14].([H]-[#8:1].[#8:6]-[H])

EVODEX.1-Nm196 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:5](-[#6:4])-[#8:6]-[H].([#6:13]=[#8:14].[#6:68]=[#8:69])>>[#6:4]-[#6:5]=[#8:6].([H]-[#8:14]-[#6:13].[#6:68]-[#8:69]-[H])

Source Full Reactions

EVODEX.1-R207

Full Reaction Rendering

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