EVODEX.1-P113

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

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-N97 - Reaction Operator N

Reaction Operator N SMIRKS

([#8:14]=[#6:15].[#6:18]=[#7:19]-[#6:20]).[H]-[#6@@:4](-[#6:2])(-[#8:5]-[H])-[#6@@:6]>>[#6:2]-[#6:4](=[#8:5])-[#6@@:6].([H]-[#8:14]-[#6:15].[#6:18]-[#7:19](-[H])-[#6:20])

EVODEX.1-Em181 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:14]=[#6:15]1-[#6:16]=[#6:17]-[#6:18](=[#7:19]-[#6:20])-[#6:29]=[#6:30]-1.[H]-[#6:4](-[#6:2]=[#8:1])(-[#8:5]-[H])-[#6:6]>>[#8:1]=[#6:2]-[#6:4](=[#8:5])-[#6:6].[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-Nm95 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([#8:14]=[#6:15].[#6:18]=[#7:19]-[#6:20]).[H]-[#6:4](-[#6:2])(-[#8:5]-[H])-[#6:6]>>[#6:2]-[#6:4](=[#8:5])-[#6:6].([H]-[#8:14]-[#6:15].[#6:18]-[#7:19](-[H])-[#6:20])

Source Full Reactions

EVODEX.1-R149

Full Reaction Rendering

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