SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[C:4]([C:3](=[C:2]([C:1]([H:48])([H:49])[H:50])[C:14]([O:15][H:45])([H:46])[H:47])[H:44])([H:42])[H:43].[H][N:16]([C:17]1:[N:18]:[C:19]([H:51]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:52]):[N:25]:2[C@:26]1([H:53])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:54])[O:34][H:55])([H:56])[H:57])([H:58])[C@:35]([O:36][H:59])([H:60])[C@:37]1([O:38][H:61])[H:62])[H:63]>>[C:1]([C:2](=[C:3]([C:4]([N:16]([C:17]1:[N:18]:[C:19]([H:51]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:52]):[N:25]:2[C@:26]1([H:53])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:54])[O:34][H:55])([H:56])[H:57])([H:58])[C@:35]([O:36][H:59])([H:60])[C@:37]1([O:38][H:61])[H:62])[H:63])([H:42])[H:43])[H:44])[C:14]([O:15][H:45])([H:46])[H:47])([H:48])([H:49])[H:50]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E710 - Reaction Operator E
[#6:4]-[#6:5](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:48])-[H:49].[#7:15](-[#6:16])(-[H:67])-[H]>>[#6:4]-[#6:5](-[#7:15](-[#6:16])-[H:67])(-[H:48])-[H:49]
EVODEX.1-C398 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:5].[H]-[#7:15]>>[#6:5]-[#7:15]
EVODEX.1-N477 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:5](-[#6:4])(-[H:48])-[H:49].[H]-[#7:15](-[#6:16])-[H:67]>>[#6:4]-[#6:5](-[#7:15](-[#6:16])-[H:67])(-[H:48])-[H:49]
EVODEX.1-Em513 - Reaction Operator Em
[#15]-[#8]-[#6:5]-[#6:4].[H]-[#7:15]-[#6:16]>>[#6:4]-[#6:5]-[#7:15]-[#6:16]
EVODEX.1-Nm464 - Reaction Operator Nm
[#15]-[#8]-[#6:5]-[#6:4].[H]-[#7:15]-[#6:16]>>[#6:4]-[#6:5]-[#7:15]-[#6:16]
Source Full Reactions
EVODEX.1-R3331
[C:1]([C:2](=[C:3]([C:4]([O:5][P:6](=[O:7])([O:8][H:39])[O:9][P:10](=[O:11])([O:12][H:40])[O:13][H:41])([H:42])[H:43])[H:44])[C:14]([O:15][H:45])([H:46])[H:47])([H:48])([H:49])[H:50].[H][N:16]([C:17]1:[N:18]:[C:19]([H:51]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:52]):[N:25]:2[C@:26]1([H:53])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:54])[O:34][H:55])([H:56])[H:57])([H:58])[C@:35]([O:36][H:59])([H:60])[C@:37]1([O:38][H:61])[H:62])[H:63]>>[C:1]([C:2](=[C:3]([C:4]([N:16]([C:17]1:[N:18]:[C:19]([H:51]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:52]):[N:25]:2[C@:26]1([H:53])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:54])[O:34][H:55])([H:56])[H:57])([H:58])[C@:35]([O:36][H:59])([H:60])[C@:37]1([O:38][H:61])[H:62])[H:63])([H:42])[H:43])[H:44])[C:14]([O:15][H:45])([H:46])[H:47])([H:48])([H:49])[H:50].[H][O:5][P:6](=[O:7])([O:8][H:39])[O:9][P:10](=[O:11])([O:12][H:40])[O:13][H:41]