SMIRKS
[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:32])[C@:6]([O:7][C@:8]2([H:33])[O:9][C@@:10]([C:11]([O:12][H:34])([H:35])[H:36])([H:37])[C@@:13]([O:14][H:38])([H:39])[C@@:15]([O:16][H:40])([H:41])[C@:17]2([O:18][H:42])[H:43])([H:44])[C@@:19]([O:20][H:45])([H:46])[C@:21]([C:22]([O:23][H:47])([H:48])[H:49])([H:50])[O:24][C@:25]1([O:26][H:51])[H:52])[H:53])([H:54])([H:55])[H:56]>>[H]OP(=O)(O[H])O[C@@:8]1([H:33])[O:9][C@@:10]([C:11]([O:12][H:34])([H:35])[H:36])([H:37])[C@@:13]([O:14][H:38])([H:39])[C@@:15]([O:16][H:40])([H:41])[C@:17]1([O:18][H:42])[H:43].[H][O:7][C@:6]1([H:44])[C@:5]([N:4]([C:2]([C:1]([H:54])([H:55])[H:56])=[O:3])[H:53])([H:32])[C@@:25]([O:26][H:51])([H:52])[O:24][C@@:21]([C:22]([O:23][H:47])([H:48])[H:49])([H:50])[C@:19]1([O:20][H:45])[H:46]
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-C1064 - Reaction Operator C
([#8:23]-[#6:24].[#6@@:17]-[#6@:20].[#6@:35])>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:24].([H]-[#8:23].[#6@@:20]-[#6@:17].[#6@@:35])
EVODEX.1-N1558 - Reaction Operator N
[#8:7](-[#6@:6]1-[#6@:5]-[#6@@:25](-[#8:24]-[#6@@:21](-[#6@:19]-1(-[#8:20])-[H:46])(-[#6:22])-[H:50])(-[#8:26])-[H:52])-[#6@:8](-[H:33])(-[#8:9])-[#6@:17]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:8](-[H:33])(-[#8:9])-[#6@:17].[H]-[#8:7]-[#6@@:6]1-[#6@:5]-[#6@@:25](-[#8:26])(-[H:52])-[#8:24]-[#6@@:21](-[#6:22])(-[H:50])-[#6@:19]-1(-[#8:20])-[H:46]
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-R3067
[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:32])[C@:6]([O:7][C@:8]2([H:33])[O:9][C@@:10]([C:11]([O:12][H:34])([H:35])[H:36])([H:37])[C@@:13]([O:14][H:38])([H:39])[C@@:15]([O:16][H:40])([H:41])[C@:17]2([O:18][H:42])[H:43])([H:44])[C@@:19]([O:20][H:45])([H:46])[C@:21]([C:22]([O:23][H:47])([H:48])[H:49])([H:50])[O:24][C@:25]1([O:26][H:51])[H:52])[H:53])([H:54])([H:55])[H:56].[H][O:29][P:28](=[O:27])([O:30][H:58])[O:31][H:59]>>[C@:8]1([O:29][P:28](=[O:27])([O:30][H:58])[O:31][H:59])([H:33])[O:9][C@@:10]([C:11]([O:12][H:34])([H:35])[H:36])([H:37])[C@@:13]([O:14][H:38])([H:39])[C@@:15]([O:16][H:40])([H:41])[C@:17]1([O:18][H:42])[H:43].[H][O:7][C@:6]1([H:44])[C@:5]([N:4]([C:2]([C:1]([H:54])([H:55])[H:56])=[O:3])[H:53])([H:32])[C@@:25]([O:26][H:51])([H:52])[O:24][C@@:21]([C:22]([O:23][H:47])([H:48])[H:49])([H:50])[C@:19]1([O:20][H:45])[H:46]