SMIRKS
[O:6]([C:7]([C:8]1:[C:9]([H:40]):[C:10]([H:41]):[C:11]([H:42]):[C:12]([H:43]):[C:13]:1[O:14][C@:15]1([H:44])[O:16][C@@:17]([C:18]([O:19][H:45])([H:46])[H:47])([H:48])[C@:20]([O:21][H:49])([H:50])[C@@:22]([O:23][C:24]2([H:51])[O:25][C@@:26]([C:27]([O:28][H:52])([H:53])[H:54])([H:55])[C@:29]([O:30][H:56])([H:57])[C@@:31]([O:32][H:58])([H:59])[C@:33]2([O:34][H:60])[H:61])([H:62])[C@:35]1([O:36][H:63])[H:64])([H:65])[H:66])[H:67]>>[H]OP(=O)(O[H])O[C@@:24]1([H:51])[O:25][C@@:26]([C:27]([O:28][H:52])([H:53])[H:54])([H:55])[C@:29]([O:30][H:56])([H:57])[C@@:31]([O:32][H:58])([H:59])[C@:33]1([O:34][H:60])[H:61].[H][O:23][C@@:22]1([H:62])[C@@:20]([O:21][H:49])([H:50])[C@:17]([C:18]([O:19][H:45])([H:46])[H:47])([H:48])[O:16][C@:15]([O:14][C:13]2:[C:8]([C:7]([O:6][H:67])([H:65])[H:66]):[C:9]([H:40]):[C:10]([H:41]):[C:11]([H:42]):[C:12]:2[H:43])([H:44])[C@@:35]1([O:36][H:63])[H:64]
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-N1566 - Reaction Operator N
[#8:16]1-[#6@:15]-[#6@@:35](-[#6@@:22](-[#6@@:20](-[#6@:17]-1(-[#6:18])-[H:48])(-[#8:21])-[H:50])-[#8:23]-[#6:24](-[H:51])(-[#8:25])-[#6@:33])(-[#8:36])-[H:64]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:24](-[H:51])(-[#8:25])-[#6@:33].[H]-[#8:23]-[#6@:22]1-[#6@@:20](-[#8:21])(-[H:50])-[#6@:17](-[#6:18])(-[H:48])-[#8:16]-[#6@:15]-[#6@@:35]-1(-[#8:36])-[H:64]
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-R3133
[H][O:3][P:2](=[O:1])([O:4][H:38])[O:5][H:39].[O:6]([C:7]([C:8]1:[C:9]([H:40]):[C:10]([H:41]):[C:11]([H:42]):[C:12]([H:43]):[C:13]:1[O:14][C@:15]1([H:44])[O:16][C@@:17]([C:18]([O:19][H:45])([H:46])[H:47])([H:48])[C@:20]([O:21][H:49])([H:50])[C@@:22]([O:23][C:24]2([H:51])[O:25][C@@:26]([C:27]([O:28][H:52])([H:53])[H:54])([H:55])[C@:29]([O:30][H:56])([H:57])[C@@:31]([O:32][H:58])([H:59])[C@:33]2([O:34][H:60])[H:61])([H:62])[C@:35]1([O:36][H:63])[H:64])([H:65])[H:66])[H:67]>>[O:1]=[P:2]([O:3][C@@:24]1([H:51])[O:25][C@@:26]([C:27]([O:28][H:52])([H:53])[H:54])([H:55])[C@:29]([O:30][H:56])([H:57])[C@@:31]([O:32][H:58])([H:59])[C@:33]1([O:34][H:60])[H:61])([O:4][H:38])[O:5][H:39].[H][O:23][C@@:22]1([H:62])[C@@:20]([O:21][H:49])([H:50])[C@:17]([C:18]([O:19][H:45])([H:46])[H:47])([H:48])[O:16][C@:15]([O:14][C:13]2:[C:8]([C:7]([O:6][H:67])([H:65])[H:66]):[C:9]([H:40]):[C:10]([H:41]):[C:11]([H:42]):[C:12]:2[H:43])([H:44])[C@@:35]1([O:36][H:63])[H:64]