SMIRKS
[C:1]([C:2]([C:3](=[O:4])[H:25])([N:5]([C:6](=[O:7])[O:8][C:9]1:[C:10]([H:26]):[C:11]([H:27]):[C:12]([H:28]):[C:13]([H:29]):[C:14]:1[H:30])[H:31])[H:32])([H:33])([H:34])[H:35]>>[H]OC([H])(C(=O)C([H])([H])OP(=O)(O[H])O[H])[C:3]([C:2]([C:1]([H:33])([H:34])[H:35])([N:5]([C:6](=[O:7])[O:8][C:9]1:[C:10]([H:26]):[C:11]([H:27]):[C:12]([H:28]):[C:13]([H:29]):[C:14]:1[H:30])[H:31])[H:32])([O:4][H])[H:25]
Derived Operators
EVODEX.1-F236 - Elemental Balance
| P | 1 |
| O | 6 |
| C | 3 |
| H | 7 |
EVODEX.1-M136 - Mass Difference
169.99801
EVODEX.1-E958 - Reaction Operator E
[#6:3]-[#6:4](=[#8:5])-[H:19]>>[#6:3]-[#6:4](-[#8:5]-[H])(-[#6](-[#6](=[#8])-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])(-[#8]-[H])-[H])-[H:19]
EVODEX.1-C726 - Reaction Operator C
[#8:11]=[#6:12]>>[H]-[#8]-[#6](-[H])(-[#6](=[#8])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6:12]-[#8:11]-[H]
EVODEX.1-N927 - Reaction Operator N
[#8:11]=[#6:12](-[#6:13])-[H:32]>>[H]-[#8]-[#6](-[H])(-[#6](=[#8])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6:12](-[#8:11]-[H])(-[#6:13])-[H:32]
EVODEX.1-Em72 - Reaction Operator Em
[#8:7]=[#6:8]-[#6:9]>>[#6]-[#6](-[H])(-[#8])-[#6:8](-[#8:7]-[H])-[#6:9]
EVODEX.1-Nm86 - Reaction Operator Nm
[#8:7]=[#6:8]-[#6:9]>>[#6]-[#6](-[H])(-[#8])-[#6:8](-[#8:7]-[H])-[#6:9]
Source Full Reactions
EVODEX.1-R6863
[C:1]([C:2]([C:3](=[O:4])[H:25])([N:5]([C:6](=[O:7])[O:8][C:9]1:[C:10]([H:26]):[C:11]([H:27]):[C:12]([H:28]):[C:13]([H:29]):[C:14]:1[H:30])[H:31])[H:32])([H:33])([H:34])[H:35].[H][C:17]([C:16](=[O:15])[C:19]([O:20][P:21](=[O:22])([O:23][H:39])[O:24][H:40])([H:41])[H:42])([O:18][H:36])[H:37]>>[H][O:4][C:3]([C:2]([C:1]([H:33])([H:34])[H:35])([N:5]([C:6](=[O:7])[O:8][C:9]1:[C:10]([H:26]):[C:11]([H:27]):[C:12]([H:28]):[C:13]([H:29]):[C:14]:1[H:30])[H:31])[H:32])([C:17]([C:16](=[O:15])[C:19]([O:20][P:21](=[O:22])([O:23][H:39])[O:24][H:40])([H:41])[H:42])([O:18][H:36])[H:37])[H:25]