SMIRKS
[H][C@@:13]([C:12]([C:10]([C:9]([H:36])([H:37])[H:38])([C:11]([H:26])([H:27])[H:28])[H:35])([H:33])[H:34])([N:14]([H:29])[H:30])[C:15](=[O:16])[O:17][H:31]>>[H]OC(=O)[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])[N:14]([H:29])[H:30].O=[C:13]([C:12]([C:10]([C:9]([H:36])([H:37])[H:38])([C:11]([H:26])([H:27])[H:28])[H:35])([H:33])[H:34])[C:15](=[O:16])[O:17][H:31]
Derived Operators
EVODEX.1-F103 - Elemental Balance
| C | 5 |
| O | 3 |
| H | 8 |
EVODEX.1-M233 - Mass Difference
116.04734
EVODEX.1-E688 - Reaction Operator E
[#6:13]-[#6@:14](-[#7:15](-[H:27])-[H:28])(-[#6:16]=[#8:17])-[H]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6@@](-[#6](=[#8])-[#8]-[H])(-[#7:15](-[H:27])-[H:28])-[H])-[H])(-[H])(-[H])-[H].[#8]=[#6:14](-[#6:13])-[#6:16]=[#8:17]
EVODEX.1-C456 - Reaction Operator C
[H]-[#6@@:14]-[#7:15]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#7:15].[#8]=[#6:14]
EVODEX.1-N553 - Reaction Operator N
[H]-[#6@@:14](-[#6:13])(-[#7:15](-[H:27])-[H:28])-[#6:16]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#7:15](-[H:27])-[H:28].[#8]=[#6:14](-[#6:13])-[#6:16]
EVODEX.1-Em17 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14]=[#8:15]>>[#8]=[#6:2](-[#6:3])-[#6:14]=[#8:15].[#6]-[#6](-[H])(-[#6])-[#7:1]
EVODEX.1-Nm13 - Reaction Operator Nm
[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]
Source Full Reactions
EVODEX.1-R3692
[C:1]([C:2]([C:3]([H:18])([H:19])[H:20])([C:4](=[O:5])[C:6](=[O:7])[O:8][H:21])[H:22])([H:23])([H:24])[H:25].[H][C@@:13]([C:12]([C:10]([C:9]([H:36])([H:37])[H:38])([C:11]([H:26])([H:27])[H:28])[H:35])([H:33])[H:34])([N:14]([H:29])[H:30])[C:15](=[O:16])[O:17][H:31]>>[H][C@:4]([C:2]([C:1]([H:23])([H:24])[H:25])([C:3]([H:18])([H:19])[H:20])[H:22])([C:6](=[O:7])[O:8][H:21])[N:14]([H:29])[H:30].[O:5]=[C:13]([C:12]([C:10]([C:9]([H:36])([H:37])[H:38])([C:11]([H:26])([H:27])[H:28])[H:35])([H:33])[H:34])[C:15](=[O:16])[O:17][H:31]