EVODEX.1-P97

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E321 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6:6](-[#8:7]-[H])(-[H:33])-[H].[#8:14]=[#6:15]1-[#6:16]=[#6:17]-[#6:18](=[#7:19]-[#6:20])-[#6:29]=[#6:30]-1>>[#6:5]-[#6:6](=[#8:7])-[H:33].[#8:14](-[#6:15]1:[#6:16]:[#6:17]:[#6:18](-[#7:19](-[#6:20])-[H]):[#6:29]:[#6:30]:1)-[H]

EVODEX.1-C82 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:6]-[#8:7]-[H].([#8:14].[#7:19])>>[#6:6]=[#8:7].([H]-[#8:14].[#7:19]-[H])

EVODEX.1-N113 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:6](-[#6:5])(-[#8:7]-[H])-[H:33].([#8:14]=[#6:15].[#6:18]=[#7:19]-[#6:20])>>[#6:5]-[#6:6](=[#8:7])-[H:33].([H]-[#8:14]-[#6:15].[#6:18]-[#7:19](-[H])-[#6:20])

EVODEX.1-Em176 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:6](-[#6:5])-[#8:7]-[H].[#8:14]=[#6:15]1-[#6:16]=[#6:17]-[#6:18](=[#7:19]-[#6:20])-[#6:29]=[#6:30]-1>>[#6:5]-[#6:6]=[#8:7].[H]-[#8:14]-[#6:15]1:[#6:16]:[#6:17]:[#6:18](-[#7:19](-[H])-[#6:20]):[#6:29]:[#6:30]:1

EVODEX.1-Cm75 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:6]-[#8:7]-[H].([#8:14].[#7:19])>>[#6:6]=[#8:7].([H]-[#8:14].[#7:19]-[H])

EVODEX.1-Nm189 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:6](-[#6:5])-[#8:7]-[H].([#8:14]=[#6:15].[#6:18]=[#7:19]-[#6:20])>>[#6:5]-[#6:6]=[#8:7].([H]-[#8:14]-[#6:15].[#6:18]-[#7:19](-[H])-[#6:20])

Source Full Reactions

EVODEX.1-R130

Full Reaction Rendering

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