SMIRKS
[C:1]([C:2]([C:3]([O:4][H:22])([H:23])[H:24])([O:5][C@@:6]1([H:25])[O:7][C@@:8]([C:9]([O:10][H:26])([H:27])[H:28])([H:29])[C@:11]([O:12][H:30])([H:31])[C@@:13]([O:14][H:32])([H:33])[C@:15]1([O:16][H:34])[H:35])[H:36])([H:37])([H:38])[H:39]>>[H]OP(=O)(O[H])O[C@@:6]1([H:25])[O:7][C@@:8]([C:9]([O:10][H:26])([H:27])[H:28])([H:29])[C@:11]([O:12][H:30])([H:31])[C@@:13]([O:14][H:32])([H:33])[C@:15]1([O:16][H:34])[H:35].[H][O:5][C:2]([C:1]([H:37])([H:38])[H:39])([C:3]([O:4][H:22])([H:23])[H:24])[H:36]
Derived Operators
EVODEX.1-F305 - Elemental Balance
| P | 1 |
| O | 4 |
| H | 3 |
EVODEX.1-M26 - Mass Difference
97.97689
EVODEX.1-E1075 - Reaction Operator E
[#6:12]-[#8:13]-[#6@@:14](-[H:32])(-[#8:15])-[#6@:23]>>[#8]=[#15](-[#8]-[#6@@:14](-[H:32])(-[#8:15])-[#6@:23])(-[#8]-[H])-[#8]-[H].[#6:12]-[#8:13]-[H]
EVODEX.1-C1259 - Reaction Operator C
[#8:5]-[#6@@:6]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:6].[H]-[#8:5]
EVODEX.1-N1571 - Reaction Operator N
[#6:2]-[#8:5]-[#6@@:6](-[H:25])(-[#8:7])-[#6@:15]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:6](-[H:25])(-[#8:7])-[#6@:15].[H]-[#8:5]-[#6:2]
EVODEX.1-Em61 - Reaction Operator Em
[#6:34]-[#8:35]-[#6:36](-[#8:37])-[#6:45]>>[#15]-[#8]-[#6:36](-[#8:37])-[#6:45].[H]-[#8:35]-[#6:34]
EVODEX.1-Nm73 - Reaction Operator Nm
[#6:34]-[#8:35]-[#6:36](-[#8:37])-[#6:45]>>[#15]-[#8]-[#6:36](-[#8:37])-[#6:45].[H]-[#8:35]-[#6:34]
Source Full Reactions
EVODEX.1-R3169
[C:1]([C:2]([C:3]([O:4][H:22])([H:23])[H:24])([O:5][C@@:6]1([H:25])[O:7][C@@:8]([C:9]([O:10][H:26])([H:27])[H:28])([H:29])[C@:11]([O:12][H:30])([H:31])[C@@:13]([O:14][H:32])([H:33])[C@:15]1([O:16][H:34])[H:35])[H:36])([H:37])([H:38])[H:39].[H][O:19][P:18](=[O:17])([O:20][H:41])[O:21][H:42]>>[C@:6]1([O:19][P:18](=[O:17])([O:20][H:41])[O:21][H:42])([H:25])[O:7][C@@:8]([C:9]([O:10][H:26])([H:27])[H:28])([H:29])[C@:11]([O:12][H:30])([H:31])[C@@:13]([O:14][H:32])([H:33])[C@:15]1([O:16][H:34])[H:35].[H][O:5][C:2]([C:1]([H:37])([H:38])[H:39])([C:3]([O:4][H:22])([H:23])[H:24])[H:36]