SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]([H:43]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:44]):[N:10]:2[C@:11]1([H:45])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:46])[O:19][P:20](=[O:21])([O:22][H:47])[O:23][P:24](=[O:25])([O:26][H:48])[O:27][H:49])([H:50])[H:51])([H:52])[C@:28]([O:29][H:53])([H:54])[C@:30]1([O:31][H:55])[H:56])([H:57])[H:58]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:52])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:43]):[N:3]:[C:2]([N:1]([H:57])[H:58]):[C:7]:3:[N:8]:[C:9]:2[H:44])([H:45])[C@@:30]([O:31][H:55])([H:56])[C@@:28]1([O:29][H:53])[H:54])([H:50])[H:51])(=[O:17])[O:18][H:46])(=[O:21])[O:22][H:47].[H]O[C@@]([H])(C(=O)O[P:24](=[O:25])([O:26][H:48])[O:27][H:49])C([H])([H])OP(=O)(O[H])O[H]
Derived Operators
EVODEX.1-F237 - Elemental Balance
| P | 1 |
| O | 7 |
| C | 3 |
| H | 7 |
EVODEX.1-M295 - Mass Difference
185.99291
EVODEX.1-E960 - Reaction Operator E
[#15:17]-[#8:20]-[#15:21](=[#8:22])(-[#8:23])-[#8:24]>>[#15:17]-[#8:20]-[H].[#15:21](=[#8:22])(-[#8:23])(-[#8:24])-[#8]-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])-[H]
EVODEX.1-C1096 - Reaction Operator C
([#8:34]-[#15:35].[#6@:39]-[#6@:41])>>([H]-[#8:34].[#6@@:41]-[#6@@:39]).[H]-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#8]-[#15:35])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]
EVODEX.1-N1344 - Reaction Operator N
([#15:31]-[#8:34]-[#15:35](=[#8:36])(-[#8:37])-[#8:38].[#8:40]-[#6@@:39](-[#6@@:24])(-[H:55])-[#6@:41](-[#6@:22])(-[#8:42])-[H:57])>>([H]-[#8:34]-[#15:31].[#8:42]-[#6@:41](-[#6@:22])(-[H:57])-[#6@@:39](-[#6@@:24])(-[#8:40])-[H:55]).[H]-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#8]-[#15:35](=[#8:36])(-[#8:37])-[#8:38])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]
EVODEX.1-Em9 - Reaction Operator Em
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
EVODEX.1-Nm10 - Reaction Operator Nm
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
Source Full Reactions
EVODEX.1-R4174
[N:1]([C:2]1:[N:3]:[C:4]([H:43]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:44]):[N:10]:2[C@:11]1([H:45])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:46])[O:19][P:20](=[O:21])([O:22][H:47])[O:23][P:24](=[O:25])([O:26][H:48])[O:27][H:49])([H:50])[H:51])([H:52])[C@:28]([O:29][H:53])([H:54])[C@:30]1([O:31][H:55])[H:56])([H:57])[H:58].[H][O:34][C:33](=[O:32])[C@:35]([O:36][H:60])([C:37]([O:38][P:39](=[O:40])([O:41][H:61])[O:42][H:62])([H:63])[H:64])[H:65]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:52])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:43]):[N:3]:[C:2]([N:1]([H:57])[H:58]):[C:7]:3:[N:8]:[C:9]:2[H:44])([H:45])[C@@:30]([O:31][H:55])([H:56])[C@@:28]1([O:29][H:53])[H:54])([H:50])[H:51])(=[O:17])[O:18][H:46])(=[O:21])[O:22][H:47].[P:24](=[O:25])([O:26][H:48])([O:27][H:49])[O:34][C:33](=[O:32])[C@:35]([O:36][H:60])([C:37]([O:38][P:39](=[O:40])([O:41][H:61])[O:42][H:62])([H:63])[H:64])[H:65]