EVODEX.1-P189

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R238

Full Reaction Rendering

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