SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])[C:9]([C:8]1:[C:2]([N:1]([H:27])[H:28]):[C:3]([Br:4]):[C:5]([H:18]):[C:6]([H:19]):[C:7]:1[H:20])=[O:10].[H][O:17][H:29]>>[N:1]([C:2]1:[C:3]([Br:4]):[C:5]([H:18]):[C:6]([H:19]):[C:7]([H:20]):[C:8]:1[C:9](=[O:10])[O:17][H:29])([H:27])[H:28]
Derived Operators
EVODEX.1-F263 - Elemental Balance
| O | -2 |
| C | -3 |
| N | -1 |
| H | -7 |
EVODEX.1-M49 - Mass Difference
-89.04771000000001
EVODEX.1-E998 - Reaction Operator E
[#6:8]-[#6:9](=[#8:10])-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H].[#8:17](-[H:29])-[H]>>[#6:8]-[#6:9](=[#8:10])-[#8:17]-[H:29]
EVODEX.1-C725 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6:10].[H]-[#8:18]>>[#6:10]-[#8:18]
EVODEX.1-N896 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6:10](-[#6:9])=[#8:11].[H]-[#8:18]-[H:29]>>[#6:9]-[#6:10](=[#8:11])-[#8:18]-[H:29]
EVODEX.1-Em135 - Reaction Operator Em
[#6]-[#6](-[H])(-[H])-[#6:10](-[#6:9])=[#8:11].[H]-[#8:18]>>[#6:9]-[#6:10](=[#8:11])-[#8:18]
EVODEX.1-Nm165 - Reaction Operator Nm
[#6]-[#6](-[H])(-[H])-[#6:10](-[#6:9])=[#8:11].[H]-[#8:18]>>[#6:9]-[#6:10](=[#8:11])-[#8:18]
Source Full Reactions
EVODEX.1-R6681
[N:1]([C:2]1:[C:3]([Br:4]):[C:5]([H:18]):[C:6]([H:19]):[C:7]([H:20]):[C:8]:1[C:9](=[O:10])[C:11]([C@:12]([N:13]([H:21])[H:22])([C:14](=[O:15])[O:16][H:23])[H:24])([H:25])[H:26])([H:27])[H:28].[H][O:17][H:29]>>[H][C:11]([C@:12]([N:13]([H:21])[H:22])([C:14](=[O:15])[O:16][H:23])[H:24])([H:25])[H:26].[N:1]([C:2]1:[C:3]([Br:4]):[C:5]([H:18]):[C:6]([H:19]):[C:7]([H:20]):[C:8]:1[C:9](=[O:10])[O:17][H:29])([H:27])[H:28]