SMIRKS
[H]OC(=O)[C@]([H])(C([H])([H])[H])[N:3]([H:23])[H:24].O=[C:19]([C:18]1:[C:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:31])[O:17][H:32])([H:33])[H:34]):[C:10]([H:30]):[N:9]:[C:8]([C:7]([H:37])([H:38])[H:39]):[C:21]:1[O:22][H:36])[H:35]>>[H][C:19]([N:3]([H:23])[H:24])([C:18]1:[C:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:31])[O:17][H:32])([H:33])[H:34]):[C:10]([H:30]):[N:9]:[C:8]([C:7]([H:37])([H:38])[H:39]):[C:21]:1[O:22][H:36])[H:35]
Derived Operators
EVODEX.1-F165 - Elemental Balance
| O | -3 |
| C | -3 |
| H | -4 |
EVODEX.1-M175 - Mass Difference
-88.01602
EVODEX.1-E565 - Reaction Operator E
[#6](-[#6@](-[#7:3](-[H:23])-[H:24])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])(-[H])-[H].[#6:18]-[#6:19](=[#8])-[H:35]>>[#7:3](-[#6:19](-[#6:18])(-[H:35])-[H])(-[H:23])-[H:24]
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-N517 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#7:3](-[H:23])-[H:24].[#8]=[#6:19](-[#6:18])-[H:35]>>[H]-[#6:19](-[#7:3](-[H:23])-[H:24])(-[#6:18])-[H:35]
EVODEX.1-Em107 - Reaction Operator Em
[#6]-[#6](-[H])(-[#6])-[#7:3].[#8]=[#6:19]-[#6:18]>>[H]-[#6:19](-[#7:3])-[#6:18]
EVODEX.1-Nm139 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#6])-[#7:3].[#8]=[#6:19]-[#6:18]>>[H]-[#6:19](-[#7:3])-[#6:18]
Source Full Reactions
EVODEX.1-R6677
[H][C@@:2]([C:1]([H:27])([H:28])[H:29])([N:3]([H:23])[H:24])[C:4](=[O:5])[O:6][H:25].[C:7]([C:8]1:[N:9]:[C:10]([H:30]):[C:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:31])[O:17][H:32])([H:33])[H:34]):[C:18]([C:19](=[O:20])[H:35]):[C:21]:1[O:22][H:36])([H:37])([H:38])[H:39]>>[C:1]([C:2]([C:4](=[O:5])[O:6][H:25])=[O:20])([H:27])([H:28])[H:29].[H][C:19]([N:3]([H:23])[H:24])([C:18]1:[C:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:31])[O:17][H:32])([H:33])[H:34]):[C:10]([H:30]):[N:9]:[C:8]([C:7]([H:37])([H:38])[H:39]):[C:21]:1[O:22][H:36])[H:35]