SMIRKS
[H]OC([H])(C(=O)C([H])([H])OP(=O)(O[H])O[H])[C:14]([C:3]([C:2]([C:1]([H:43])([H:44])[H:45])([H:41])[H:42])([N:4]([C:5](=[O:6])[O:7][C:8]1:[C:9]([H:26]):[C:10]([H:27]):[C:11]([H:28]):[C:12]([H:29]):[C:13]:1[H:30])[H:31])[H:40])([O:15][H])[H:39]>>[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[O:7][C:8]1:[C:9]([H:26]):[C:10]([H:27]):[C:11]([H:28]):[C:12]([H:29]):[C:13]:1[H:30])[H:31])([C:14](=[O:15])[H:39])[H:40])([H:41])[H:42])([H:43])([H:44])[H:45]
Derived Operators
EVODEX.1-F58 - Elemental Balance
| P | -1 |
| O | -6 |
| C | -3 |
| H | -7 |
EVODEX.1-M214 - Mass Difference
-169.99801
EVODEX.1-E592 - Reaction Operator E
[#6:3]-[#6@@:4](-[#8:5]-[H])(-[#6@@](-[#8]-[H])(-[#6](=[#8])-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])-[H])-[H:23]>>[#6:3]-[#6:4](=[#8:5])-[H:23]
EVODEX.1-C728 - Reaction Operator C
[H]-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@:11]-[#8:12]-[H]>>[#6:11]=[#8:12]
EVODEX.1-N932 - Reaction Operator N
[H]-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@:11](-[#8:12]-[H])(-[#6:13])-[H:37]>>[#6:11](=[#8:12])(-[#6:13])-[H:37]
EVODEX.1-Em87 - Reaction Operator Em
[#6]-[#6](-[H])(-[#8])-[#6:5](-[#6:4])-[#8:6]-[H]>>[#6:4]-[#6:5]=[#8:6]
EVODEX.1-Nm123 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#8])-[#6:5](-[#6:4])-[#8:6]-[H]>>[#6:4]-[#6:5]=[#8:6]
Source Full Reactions
EVODEX.1-R6867
[H][O:15][C:14]([C:3]([C:2]([C:1]([H:43])([H:44])[H:45])([H:41])[H:42])([N:4]([C:5](=[O:6])[O:7][C:8]1:[C:9]([H:26]):[C:10]([H:27]):[C:11]([H:28]):[C:12]([H:29]):[C:13]:1[H:30])[H:31])[H:40])([C:16]([O:17][H:33])([C:18](=[O:19])[C:20]([O:21][P:22](=[O:23])([O:24][H:34])[O:25][H:35])([H:36])[H:37])[H:38])[H:39]>>[H][C:16]([O:17][H:33])([C:18](=[O:19])[C:20]([O:21][P:22](=[O:23])([O:24][H:34])[O:25][H:35])([H:36])[H:37])[H:38].[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[O:7][C:8]1:[C:9]([H:26]):[C:10]([H:27]):[C:11]([H:28]):[C:12]([H:29]):[C:13]:1[H:30])[H:31])([C:14](=[O:15])[H:39])[H:40])([H:41])[H:42])([H:43])([H:44])[H:45]