EVODEX.1-P99

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R132

Full Reaction Rendering

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