SMIRKS
[H][C@@:8]([N:7]([H:35])[H:36])([C:9]([O:10][P:11](=[O:12])([O:13][H:25])[O:14][H:26])([H:27])[H:28])[C:15]([C:16]1:[C:17]([H:29]):[N:18]([H:30]):[C:19]([H:31]):[N:20]:1)([H:32])[H:33]>>[H]OC(=O)[C@]([H])(C([H])([H])[H])[N:7]([H:35])[H:36].O=[C:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:25])[O:14][H:26])([H:27])[H:28])[C:15]([C:16]1:[C:17]([H:29]):[N:18]([H:30]):[C:19]([H:31]):[N:20]:1)([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-R3856
[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:21])([H:22])([H:23])[H:24].[H][C@@:8]([N:7]([H:35])[H:36])([C:9]([O:10][P:11](=[O:12])([O:13][H:25])[O:14][H:26])([H:27])[H:28])[C:15]([C:16]1:[C:17]([H:29]):[N:18]([H:30]):[C:19]([H:31]):[N:20]:1)([H:32])[H:33]>>[H][C@:2]([C:1]([H:22])([H:23])[H:24])([C:4](=[O:5])[O:6][H:21])[N:7]([H:35])[H:36].[O:3]=[C:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:25])[O:14][H:26])([H:27])[H:28])[C:15]([C:16]1:[C:17]([H:29]):[N:18]([H:30]):[C:19]([H:31]):[N:20]:1)([H:32])[H:33]