SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[C:5]([C:4](=[C:2]([C:1]([H:38])([H:39])[H:40])[C:3]([H:29])([H:30])[H:31])[H:37])([H:35])[H:36].[H][O:28][C:27]1:[C:16]([N:15]([H:51])[H:52]):[C:17]([H:41]):[C:18]([C:19]([C@:20]([N:21]([H:42])[H:43])([C:22](=[O:23])[O:24][H:44])[H:45])([H:46])[H:47]):[C:25]([H:48]):[C:26]:1[H:49]>>[C:1]([C:2]([C:3]([H:29])([H:30])[H:31])=[C:4]([C:5]([O:28][C:27]1:[C:16]([N:15]([H:51])[H:52]):[C:17]([H:41]):[C:18]([C:19]([C@:20]([N:21]([H:42])[H:43])([C:22](=[O:23])[O:24][H:44])[H:45])([H:46])[H:47]):[C:25]([H:48]):[C:26]:1[H:49])([H:35])[H:36])[H:37])([H:38])([H:39])[H:40]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E709 - Reaction Operator E
[#6:12](-[#6@@:11])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:56])-[H:57].[#6:31]-[#8:32]-[H]>>[#6:12](-[#6@@:11])(-[#8:32]-[#6:31])(-[H:56])-[H:57]
EVODEX.1-C169 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:10].[H]-[#8:20]>>[#6:10]-[#8:20]
EVODEX.1-N1094 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:5](-[#6:4])(-[H:35])-[H:36].[H]-[#8:28]-[#6:27]>>[#6:4]-[#6:5](-[#8:28]-[#6:27])(-[H:35])-[H:36]
EVODEX.1-Em512 - Reaction Operator Em
[H]-[#8:24]-[#6:23].[#15]-[#8]-[#6:50]-[#6:49]>>[#6:23]-[#8:24]-[#6:50]-[#6:49]
EVODEX.1-Nm463 - Reaction Operator Nm
[H]-[#8:24]-[#6:23].[#15]-[#8]-[#6:50]-[#6:49]>>[#6:23]-[#8:24]-[#6:50]-[#6:49]
Source Full Reactions
EVODEX.1-R3302
[C:1]([C:2]([C:3]([H:29])([H:30])[H:31])=[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:32])[O:10][P:11](=[O:12])([O:13][H:33])[O:14][H:34])([H:35])[H:36])[H:37])([H:38])([H:39])[H:40].[H][O:28][C:27]1:[C:16]([N:15]([H:51])[H:52]):[C:17]([H:41]):[C:18]([C:19]([C@:20]([N:21]([H:42])[H:43])([C:22](=[O:23])[O:24][H:44])[H:45])([H:46])[H:47]):[C:25]([H:48]):[C:26]:1[H:49]>>[C:1]([C:2]([C:3]([H:29])([H:30])[H:31])=[C:4]([C:5]([O:28][C:27]1:[C:16]([N:15]([H:51])[H:52]):[C:17]([H:41]):[C:18]([C:19]([C@:20]([N:21]([H:42])[H:43])([C:22](=[O:23])[O:24][H:44])[H:45])([H:46])[H:47]):[C:25]([H:48]):[C:26]:1[H:49])([H:35])[H:36])[H:37])([H:38])([H:39])[H:40].[H][O:6][P:7](=[O:8])([O:9][H:32])[O:10][P:11](=[O:12])([O:13][H:33])[O:14][H:34]