SMIRKS
O=[C:4]([C:3]([C:2]([C:1]([H:20])([H:21])[H:22])([H:18])[H:19])([H:16])[H:17])[C:5]([H:13])([H:14])[H:15].[H]OC(=O)[C@@]([H])(C([H])([H])[H])[N:9]([H:23])[H:24]>>[H][C@:4]([C:3]([C:2]([C:1]([H:20])([H:21])[H:22])([H:18])[H:19])([H:16])[H:17])([C:5]([H:13])([H:14])[H:15])[N:9]([H:23])[H:24]
Derived Operators
EVODEX.1-F51 - Elemental Balance
| C | -3 |
| O | -3 |
| H | -4 |
EVODEX.1-M54 - Mass Difference
-88.01602
EVODEX.1-E566 - Reaction Operator E
[#6:3]-[#6:4](-[#6:5])=[#8].[#6](-[#6@@](-[#7:9](-[H:23])-[H:24])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])(-[H])-[H]>>[#6:3]-[#6@@:4](-[#6:5])(-[#7:9](-[H:23])-[H:24])-[H]
EVODEX.1-C126 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#7:3].[#8]=[#6:19]>>[H]-[#6:19]-[#7:3]
EVODEX.1-N516 - Reaction Operator N
[#8]=[#6:4](-[#6:3])-[#6:5].[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#7:9](-[H:23])-[H:24]>>[H]-[#6@:4](-[#6:3])(-[#6:5])-[#7:9](-[H:23])-[H:24]
EVODEX.1-Em105 - Reaction Operator Em
[#8]=[#6:35](-[#6:33])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:39]>>[H]-[#6:35](-[#7:39])(-[#6:33])-[#6:37]
EVODEX.1-Nm15 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]
Source Full Reactions
EVODEX.1-R3611
[C:1]([C:2]([C:3]([C:4]([C:5]([H:13])([H:14])[H:15])=[O:6])([H:16])[H:17])([H:18])[H:19])([H:20])([H:21])[H:22].[H][C@:8]([C:7]([H:27])([H:28])[H:29])([N:9]([H:23])[H:24])[C:10](=[O:11])[O:12][H:25]>>[H][C@:4]([C:3]([C:2]([C:1]([H:20])([H:21])[H:22])([H:18])[H:19])([H:16])[H:17])([C:5]([H:13])([H:14])[H:15])[N:9]([H:23])[H:24].[O:6]=[C:8]([C:7]([H:27])([H:28])[H:29])[C:10](=[O:11])[O:12][H:25]