SMIRKS
[N:1](=[C:2]([N:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:56])([H:57])[H:58])([H:59])[H:60])[H:61])[N:9]([P:10](=[O:11])([O:12][H:62])[O:13][H:63])[H:64])[H:65]>>[H][N:9]([C:2](=[N:1][H:65])[N:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:56])([H:57])[H:58])([H:59])[H:60])[H:61])[H:64].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[P:10](=[O:11])([O:12][H:62])[O:13][H:63]
Derived Operators
EVODEX.1-F385 - Elemental Balance
| P | 2 |
| O | 10 |
| C | 10 |
| N | 5 |
| H | 15 |
EVODEX.1-M27 - Mass Difference
427.02955
EVODEX.1-E1183 - Reaction Operator E
[#6:10]-[#7:12](-[#15:13](=[#8:14])(-[#8:15])-[#8:16])-[H:48]>>[#6:10]-[#7:12](-[H:48])-[H].[#15:13](=[#8:14])(-[#8:15])(-[#8:16])-[#8]-[#15](-[#8]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H])(=[#8])-[#8]-[H]
EVODEX.1-C885 - Reaction Operator C
[#7:9]-[#15:10]>>[H]-[#7:9].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:10]
EVODEX.1-N1107 - Reaction Operator N
[#6:2]-[#7:9](-[#15:10](=[#8:11])(-[#8:12])-[#8:13])-[H:64]>>[H]-[#7:9](-[#6:2])-[H:64].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:10](=[#8:11])(-[#8:12])-[#8:13]
EVODEX.1-Em558 - Reaction Operator Em
[#6:2]-[#7:9]-[#15:10](=[#8:11])(-[#8:12])-[#8:13]>>[H]-[#7:9]-[#6:2].[#15]-[#8]-[#15:10](=[#8:11])(-[#8:12])-[#8:13]
EVODEX.1-Nm504 - Reaction Operator Nm
[#6:2]-[#7:9]-[#15:10](=[#8:11])(-[#8:12])-[#8:13]>>[H]-[#7:9]-[#6:2].[#15]-[#8]-[#15:10](=[#8:11])(-[#8:12])-[#8:13]
Source Full Reactions
EVODEX.1-R4211
[H][O:35][P:33]([O:32][P:29]([O:28][C:27]([C@@:26]1([H:49])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:41]):[N:16]:[C:15]([N:14]([H:54])[H:55]):[C:20]:3:[N:21]:[C:22]:2[H:42])([H:43])[C@@:39]([O:40][H:52])([H:53])[C@@:37]1([O:38][H:50])[H:51])([H:47])[H:48])(=[O:30])[O:31][H:44])(=[O:34])[O:36][H:46].[N:1](=[C:2]([N:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:56])([H:57])[H:58])([H:59])[H:60])[H:61])[N:9]([P:10](=[O:11])([O:12][H:62])[O:13][H:63])[H:64])[H:65]>>[H][N:9]([C:2](=[N:1][H:65])[N:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:56])([H:57])[H:58])([H:59])[H:60])[H:61])[H:64].[P:10](=[O:11])([O:12][H:62])([O:13][H:63])[O:35][P:33]([O:32][P:29]([O:28][C:27]([C@@:26]1([H:49])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:41]):[N:16]:[C:15]([N:14]([H:54])[H:55]):[C:20]:3:[N:21]:[C:22]:2[H:42])([H:43])[C@@:39]([O:40][H:52])([H:53])[C@@:37]1([O:38][H:50])[H:51])([H:47])[H:48])(=[O:30])[O:31][H:44])(=[O:34])[O:36][H:46]