SMIRKS
[N:1]([C:2]1:[C:3]([H:44]):[C:4]([H:45]):[N:5]([C@:6]2([H:46])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:47])[O:14][P:15](=[O:16])([O:17][H:48])[O:18][P:19](=[O:20])([O:21][H:49])[O:22][H:50])([H:51])[H:52])([H:53])[C@:23]([O:24][H:54])([H:55])[C@:25]2([O:26][H:56])[H:57]):[C:27](=[O:28]):[N:29]:1)([H:58])[H:59]>>[H][O:14][P:11]([O:10][C:9]([C@@:8]1([H:53])[O:7][C@:6]([N:5]2:[C:4]([H:45]):[C:3]([H:44]):[C:2]([N:1]([H:58])[H:59]):[N:29]:[C:27]:2=[O:28])([H:46])[C@@:25]([O:26][H:56])([H:57])[C@@:23]1([O:24][H:54])[H:55])([H:51])[H:52])(=[O:12])[O:13][H:47].[H]O[C@@]1([H])[C@@]([H])(O[P:15](=[O:16])([O:17][H:48])[O:18][P:19](=[O:20])([O:21][H:49])[O:22][H:50])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[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-C976 - Reaction Operator C
([#8:14]-[#15:15].[#6@:23]-[#6@:25])>>([H]-[#8:14].[#6@@:25]-[#6@@:23]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[#15:15])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#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-R4318
[N:1]([C:2]1:[C:3]([H:44]):[C:4]([H:45]):[N:5]([C@:6]2([H:46])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:47])[O:14][P:15](=[O:16])([O:17][H:48])[O:18][P:19](=[O:20])([O:21][H:49])[O:22][H:50])([H:51])[H:52])([H:53])[C@:23]([O:24][H:54])([H:55])[C@:25]2([O:26][H:56])[H:57]):[C:27](=[O:28]):[N:29]:1)([H:58])[H:59].[H][O:39][C:38]1([H:64])[O:37][C@@:36]([C:35]([O:34][P:31](=[O:30])([O:32][H:60])[O:33][H:61])([H:69])[H:70])([H:62])[C@:42]([O:43][H:67])([H:68])[C@:40]1([O:41][H:65])[H:66]>>[H][O:14][P:11]([O:10][C:9]([C@@:8]1([H:53])[O:7][C@:6]([N:5]2:[C:4]([H:45]):[C:3]([H:44]):[C:2]([N:1]([H:58])[H:59]):[N:29]:[C:27]:2=[O:28])([H:46])[C@@:25]([O:26][H:56])([H:57])[C@@:23]1([O:24][H:54])[H:55])([H:51])[H:52])(=[O:12])[O:13][H:47].[P:15](=[O:16])([O:17][H:48])([O:18][P:19](=[O:20])([O:21][H:49])[O:22][H:50])[O:39][C@@:38]1([H:64])[O:37][C@@:36]([C:35]([O:34][P:31](=[O:30])([O:32][H:60])[O:33][H:61])([H:69])[H:70])([H:62])[C@:42]([O:43][H:67])([H:68])[C@:40]1([O:41][H:65])[H:66]