SMIRKS
[N:1](=[C:2]1:[N:3]([H:43]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:44]):[N:9]([C@:10]3([H:45])[O:11][C@@:12]([C:13]([O:14][P:15](=[O:16])([O:17][H:46])[O:18][P:19](=[O:20])([O:21][H:47])[O:22][H:48])([H:49])[H:50])([H:51])[C@:23]([O:24][H:52])([H:53])[C@:25]3([O:26][H:54])[H:55]):[C:27]:2:[N:28]:1[H:56])[H:57]>>[H][O:18][P:15]([O:14][C:13]([C@@:12]1([H:51])[O:11][C@:10]([N:9]2:[C:8]([H:44]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:43]):[C:2](=[N:1][H:57]):[N:28]([H:56]):[C:27]:3:2)([H:45])[C@@:25]([O:26][H:54])([H:55])[C@@:23]1([O:24][H:52])[H:53])([H:49])[H:50])(=[O:16])[O:17][H:46].[H]O[C@@]1([H])[C@@]([H])(OP(=O)(O[H])O[H])O[C@]([H])(C([H])([H])O[P:19](=[O:20])([O:21][H:47])[O:22][H:48])[C@@]1([H])O[H]
Derived Operators
EVODEX.1-F311 - Elemental Balance
| P | 1 |
| O | 8 |
| C | 5 |
| H | 11 |
EVODEX.1-M325 - Mass Difference
230.01913
EVODEX.1-E1084 - Reaction Operator E
[#15:16]-[#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8:23]>>[#15:16]-[#8:19]-[H].[#15:20](=[#8:21])(-[#8:22])(-[#8:23])-[#8]-[#6@@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H]
EVODEX.1-C1082 - Reaction Operator C
([#8:28]-[#15:29].[#6@:33]-[#6@:35])>>([H]-[#8:28].[#6@@:35]-[#6@@:33]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15:29])-[#6@@]-1(-[H])-[#8]-[H]
EVODEX.1-N571 - Reaction Operator N
([#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[#8:24]-[#6@@:23](-[#6@@:8])(-[H:55])-[#6@:25](-[#6@:6])(-[#8:26])-[H:57])>>([H]-[#8:14]-[#15:11].[#8:26]-[#6@:25](-[#6@:6])(-[H:57])-[#6@@:23](-[#6@@:8])(-[#8:24])-[H:55]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@]-1(-[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-R3988
[N:1](=[C:2]1:[N:3]([H:43]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:44]):[N:9]([C@:10]3([H:45])[O:11][C@@:12]([C:13]([O:14][P:15](=[O:16])([O:17][H:46])[O:18][P:19](=[O:20])([O:21][H:47])[O:22][H:48])([H:49])[H:50])([H:51])[C@:23]([O:24][H:52])([H:53])[C@:25]3([O:26][H:54])[H:55]):[C:27]:2:[N:28]:1[H:56])[H:57].[H][O:38][C:37]([C@@:36]1([H:64])[O:35][C@@:34]([O:33][P:30](=[O:29])([O:31][H:58])[O:32][H:59])([H:60])[C@@:41]([O:42][H:67])([H:68])[C@@:39]1([O:40][H:65])[H:66])([H:62])[H:63]>>[H][O:18][P:15]([O:14][C:13]([C@@:12]1([H:51])[O:11][C@:10]([N:9]2:[C:8]([H:44]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:43]):[C:2](=[N:1][H:57]):[N:28]([H:56]):[C:27]:3:2)([H:45])[C@@:25]([O:26][H:54])([H:55])[C@@:23]1([O:24][H:52])[H:53])([H:49])[H:50])(=[O:16])[O:17][H:46].[P:19](=[O:20])([O:21][H:47])([O:22][H:48])[O:38][C:37]([C@@:36]1([H:64])[O:35][C@@:34]([O:33][P:30](=[O:29])([O:31][H:58])[O:32][H:59])([H:60])[C@@:41]([O:42][H:67])([H:68])[C@@:39]1([O:40][H:65])[H:66])([H:62])[H:63]