SMIRKS
[H]OP(=O)(O[H])O[C:24]([C@@:22]([C:21]([O:20][C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:71])([H:72])[H:73])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])=[O:19])([H:37])[H:38])([O:23][H:31])[H:36])([H:34])[H:35].[H][O:30][H:74]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][C:21]([C@@:22]([O:23][H:31])([C:24]([O:30][H:74])([H:34])[H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])([H:72])[H:73]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E851 - Reaction Operator E
[#6:4]-[#6:5](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:19])-[H:20].[#8:15](-[H:29])-[H]>>[#6:4]-[#6:5](-[#8:15]-[H:29])(-[H:19])-[H:20]
EVODEX.1-C76 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:6].[H]-[#8:1]>>[#8:1]-[#6:6]
EVODEX.1-N1122 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:6](-[#6:5])(-[H:20])-[H:21].[H]-[#8:1]-[H:25]>>[#8:1](-[#6:6](-[#6:5])(-[H:20])-[H:21])-[H:25]
EVODEX.1-Em104 - Reaction Operator Em
[#15]-[#8]-[#6:12]-[#6:11].[H]-[#8:37]>>[#6:11]-[#6:12]-[#8:37]
EVODEX.1-Nm137 - Reaction Operator Nm
[#15]-[#8]-[#6:12]-[#6:11].[H]-[#8:37]>>[#6:11]-[#6:12]-[#8:37]
Source Full Reactions
EVODEX.1-R5019
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][C:21]([C@@:22]([O:23][H:31])([C:24]([O:25][P:26](=[O:27])([O:28][H:32])[O:29][H:33])([H:34])[H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])([H:72])[H:73].[H][O:30][H:74]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][C:21]([C@@:22]([O:23][H:31])([C:24]([O:30][H:74])([H:34])[H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])([H:72])[H:73].[H][O:25][P:26](=[O:27])([O:28][H:32])[O:29][H:33]