SMIRKS
[O:6]=[C:7]([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([H:22]):[C:12]([H:23]):[C:13]:1[Br:14])[H:24]>>[H]OC(=O)[C@]([H])(N([H])[H])[C:7]([O:6][H])([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([H:22]):[C:12]([H:23]):[C:13]:1[Br:14])[H:24]
Derived Operators
EVODEX.1-F268 - Elemental Balance
| O | 2 |
| C | 2 |
| N | 1 |
| H | 5 |
EVODEX.1-M50 - Mass Difference
75.03205000000001
EVODEX.1-E1011 - Reaction Operator E
[#8:6]=[#6:7](-[#6:8])-[H:26]>>[#7](-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6@@:7](-[#8:6]-[H])(-[#6:8])-[H:26])-[H])(-[H])-[H]
EVODEX.1-C927 - Reaction Operator C
[#8:6]=[#6:7]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#7](-[H])-[H])-[#6@@:7]-[#8:6]-[H]
EVODEX.1-N1159 - Reaction Operator N
[#8:6]=[#6:7](-[#6:8])-[H:23]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#7](-[H])-[H])-[#6@@:7](-[#8:6]-[H])(-[#6:8])-[H:23]
EVODEX.1-Em744 - Reaction Operator Em
[#6:2]-[#6:3]=[#8:4]>>[#6]-[#6](-[H])(-[#7])-[#6:3](-[#6:2])-[#8:4]-[H]
EVODEX.1-Nm673 - Reaction Operator Nm
[#6:2]-[#6:3]=[#8:4]>>[#6]-[#6](-[H])(-[#7])-[#6:3](-[#6:2])-[#8:4]-[H]
Source Full Reactions
EVODEX.1-R6886
[H][C:2]([N:1]([H:18])[H:19])([C:3](=[O:4])[O:5][H:15])[H:16].[O:6]=[C:7]([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([H:22]):[C:12]([H:23]):[C:13]:1[Br:14])[H:24]>>[H][O:6][C:7]([C@@:2]([N:1]([H:18])[H:19])([C:3](=[O:4])[O:5][H:15])[H:16])([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([H:22]):[C:12]([H:23]):[C:13]:1[Br:14])[H:24]