SMIRKS
[N:1](=[C:2]([N:3]([O:4][C:5]([C:6]([C@:7]([N:8]([H:59])[H:60])([C:9](=[O:10])[O:11][H:61])[H:62])([H:63])[H:64])([H:65])[H:66])[H:67])[N:12]([P:13](=[O:14])([O:15][H:68])[O:16][H:69])[H:70])[H:71]>>[H][N:12]([C:2](=[N:1][H:71])[N:3]([O:4][C:5]([C:6]([C@:7]([N:8]([H:59])[H:60])([C:9](=[O:10])[O:11][H:61])[H:62])([H:63])[H:64])([H:65])[H:66])[H:67])[H:70].[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:13](=[O:14])([O:15][H:68])[O:16][H:69]
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-R4206
[H][O:38][P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:52])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:44]):[N:19]:[C:18]([N:17]([H:57])[H:58]):[C:23]:3:[N:24]:[C:25]:2[H:45])([H:46])[C@@:42]([O:43][H:55])([H:56])[C@@:40]1([O:41][H:53])[H:54])([H:50])[H:51])(=[O:33])[O:34][H:47])(=[O:37])[O:39][H:49].[N:1](=[C:2]([N:3]([O:4][C:5]([C:6]([C@:7]([N:8]([H:59])[H:60])([C:9](=[O:10])[O:11][H:61])[H:62])([H:63])[H:64])([H:65])[H:66])[H:67])[N:12]([P:13](=[O:14])([O:15][H:68])[O:16][H:69])[H:70])[H:71]>>[H][N:12]([C:2](=[N:1][H:71])[N:3]([O:4][C:5]([C:6]([C@:7]([N:8]([H:59])[H:60])([C:9](=[O:10])[O:11][H:61])[H:62])([H:63])[H:64])([H:65])[H:66])[H:67])[H:70].[P:13](=[O:14])([O:15][H:68])([O:16][H:69])[O:38][P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:52])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:44]):[N:19]:[C:18]([N:17]([H:57])[H:58]):[C:23]:3:[N:24]:[C:25]:2[H:45])([H:46])[C@@:42]([O:43][H:55])([H:56])[C@@:40]1([O:41][H:53])[H:54])([H:50])[H:51])(=[O:33])[O:34][H:47])(=[O:37])[O:39][H:49]