SMIRKS
[H][C:13]([C:12]1:[C:11]([H:28]):[C:10]([H:27]):[C:9]([O:8][C:7]([H:39])([H:40])[H:41]):[C:20]([O:21][C:22]([H:36])([H:37])[H:38]):[C:19]:1[H:35])([N:14]([H:29])[H:30])[C:15]([C:16](=[O:17])[O:18][H:31])([H:32])[H:33]>>[H]OC(=O)[C@]([H])(C([H])([H])[H])[N:14]([H:29])[H:30].O=[C:13]([C:12]1:[C:11]([H:28]):[C:10]([H:27]):[C:9]([O:8][C:7]([H:39])([H:40])[H:41]):[C:20]([O:21][C:22]([H:36])([H:37])[H:38]):[C:19]:1[H:35])[C:15]([C:16](=[O:17])[O:18][H:31])([H:32])[H:33]
Derived Operators
EVODEX.1-F56 - Elemental Balance
| O | 3 |
| C | 3 |
| H | 4 |
EVODEX.1-M31 - Mass Difference
88.01602
EVODEX.1-E588 - Reaction Operator E
[#7:7](-[#6@:8](-[#6:9])(-[#6:15])-[H])(-[H:35])-[H:36]>>[#6](-[#6@@](-[#6](=[#8])-[#8]-[H])(-[#7:7](-[H:35])-[H:36])-[H])(-[H])(-[H])-[H].[#8]=[#6:8](-[#6:9])-[#6:15]
EVODEX.1-C124 - Reaction Operator C
[H]-[#6@@:8]-[#7:7]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#7:7].[#8]=[#6:8]
EVODEX.1-N537 - Reaction Operator N
[H]-[#6@@:8](-[#7:7](-[H:35])-[H:36])(-[#6:9])-[#6:15]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#7:7](-[H:35])-[H:36].[#8]=[#6:8](-[#6:9])-[#6:15]
EVODEX.1-Em110 - Reaction Operator Em
[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]
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-R3588
[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:23])([H:24])([H:25])[H:26].[H][C:13]([C:12]1:[C:11]([H:28]):[C:10]([H:27]):[C:9]([O:8][C:7]([H:39])([H:40])[H:41]):[C:20]([O:21][C:22]([H:36])([H:37])[H:38]):[C:19]:1[H:35])([N:14]([H:29])[H:30])[C:15]([C:16](=[O:17])[O:18][H:31])([H:32])[H:33]>>[H][C@:2]([C:1]([H:24])([H:25])[H:26])([C:4](=[O:5])[O:6][H:23])[N:14]([H:29])[H:30].[O:3]=[C:13]([C:12]1:[C:11]([H:28]):[C:10]([H:27]):[C:9]([O:8][C:7]([H:39])([H:40])[H:41]):[C:20]([O:21][C:22]([H:36])([H:37])[H:38]):[C:19]:1[H:35])[C:15]([C:16](=[O:17])[O:18][H:31])([H:32])[H:33]