SMIRKS
[H][O:10][C@:9]1([H:37])[C@:6]([C:7]([O:8][H:32])([H:33])[H:34])([H:35])[O:5][C:3]([O:4][H:30])([H:31])[C@@:2]([N:1]([H:40])[H:41])([H:29])[C@:11]1([O:12][H:38])[H:39].[H]OP(=O)(O[H])O[C@:18]1([H:44])[O:19][C@@:20]([C:21]([O:22][H:45])([H:46])[H:47])([H:48])[C@:23]([O:24][H:49])([H:50])[C@@:25]([O:26][H:51])([H:52])[C@:27]1([O:28][H:53])[H:54]>>[N:1]([C@@:2]1([H:29])[C:3]([O:4][H:30])([H:31])[O:5][C@@:6]([C:7]([O:8][H:32])([H:33])[H:34])([H:35])[C@:9]([O:10][C@@:18]2([H:44])[O:19][C@@:20]([C:21]([O:22][H:45])([H:46])[H:47])([H:48])[C@:23]([O:24][H:49])([H:50])[C@@:25]([O:26][H:51])([H:52])[C@:27]2([O:28][H:53])[H:54])([H:37])[C@@:11]1([O:12][H:38])[H:39])([H:40])[H:41]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E854 - Reaction Operator E
[#8]=[#15](-[#8]-[H])(-[#8]-[H])-[#8]-[#6@:16](-[H:29])(-[#8:17])-[#6@:25].[#8:8](-[#6@:7])-[H]>>[#8:8](-[#6@:7])-[#6:16](-[H:29])(-[#8:17])-[#6@:25]
EVODEX.1-C1265 - Reaction Operator C
([H]-[#8:10].[#6@:6].[#6@:11]).[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@:18]>>([#8:10]-[#6@@:18].[#6@@:6].[#6@@:11])
EVODEX.1-N1578 - Reaction Operator N
[H]-[#8:10]-[#6@:9](-[#6@:6](-[#6:7])(-[H:35])-[#8:5])-[#6@@:11](-[#6@@:2])(-[#8:12])-[H:39].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@:18](-[H:44])(-[#8:19])-[#6@:27]>>[#8:5]-[#6@@:6](-[#6:7])(-[H:35])-[#6@:9](-[#8:10]-[#6@@:18](-[H:44])(-[#8:19])-[#6@:27])-[#6@@:11](-[#6@@:2])(-[#8:12])-[H:39]
EVODEX.1-Em13 - Reaction Operator Em
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
EVODEX.1-Nm17 - Reaction Operator Nm
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
Source Full Reactions
EVODEX.1-R3232
[H][O:10][C@:9]1([H:37])[C@:6]([C:7]([O:8][H:32])([H:33])[H:34])([H:35])[O:5][C:3]([O:4][H:30])([H:31])[C@@:2]([N:1]([H:40])[H:41])([H:29])[C@:11]1([O:12][H:38])[H:39].[O:13]=[P:14]([O:15][H:42])([O:16][H:43])[O:17][C@:18]1([H:44])[O:19][C@@:20]([C:21]([O:22][H:45])([H:46])[H:47])([H:48])[C@:23]([O:24][H:49])([H:50])[C@@:25]([O:26][H:51])([H:52])[C@:27]1([O:28][H:53])[H:54]>>[N:1]([C@@:2]1([H:29])[C:3]([O:4][H:30])([H:31])[O:5][C@@:6]([C:7]([O:8][H:32])([H:33])[H:34])([H:35])[C@:9]([O:10][C@@:18]2([H:44])[O:19][C@@:20]([C:21]([O:22][H:45])([H:46])[H:47])([H:48])[C@:23]([O:24][H:49])([H:50])[C@@:25]([O:26][H:51])([H:52])[C@:27]2([O:28][H:53])[H:54])([H:37])[C@@:11]1([O:12][H:38])[H:39])([H:40])[H:41].[H][O:17][P:14](=[O:13])([O:15][H:42])[O:16][H:43]