SMIRKS
[H][O:13][P:11]([O:10][C:9]([C@@:8]1([H:51])[O:7][C@:6]([N:5]2:[C:4]([H:45]):[C:3]([H:44]):[C:2]([N:1]([H:56])[H:57]):[N:21]:[C:19]:2=[O:20])([H:46])[C@@:17]([O:18][H:54])([H:55])[C@@:15]1([O:16][H:52])[H:53])([H:49])[H:50])(=[O:12])[O:14][H:48].[H]O[C@@]1([H])[C@@]([H])(O[P:32](=[O:33])([O:34][H:61])[O:35][P:36](=[O:37])([O:38][H:62])[O:39][H:63])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]1([H])O[H]>>[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][P:32](=[O:33])([O:34][H:61])[O:35][P:36](=[O:37])([O:38][H:62])[O:39][H:63])[O:14][H:48])([H:49])[H:50])([H:51])[C@:15]([O:16][H:52])([H:53])[C@:17]2([O:18][H:54])[H:55]):[C:19](=[O:20]):[N:21]:1)([H:56])[H:57]
Derived Operators
EVODEX.1-F312 - Elemental Balance
| C | -5 |
| P | -1 |
| O | -8 |
| H | -11 |
EVODEX.1-M326 - Mass Difference
-230.01913
EVODEX.1-E1085 - Reaction Operator E
[#15:16]-[#8:18]-[H].[#8]=[#15](-[#8]-[H])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@@](-[#8]-[#15:30](=[#8:31])(-[#8:32])-[#8:33])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#15:16]-[#8:18]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]
EVODEX.1-C1100 - Reaction Operator C
([H]-[#8:13].[#6@@:17]-[#6@@:15]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[#15:32])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>([#8:13]-[#15:32].[#6@:15]-[#6@:17])
EVODEX.1-N1352 - Reaction Operator N
([H]-[#8:13]-[#15:11].[#8:18]-[#6@:17](-[#6@:6])(-[H:55])-[#6@@:15](-[#6@@:8])(-[#8:16])-[H:53]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[#15:32](=[#8:33])(-[#8:34])-[#8:35])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>([#15:11]-[#8:13]-[#15:32](=[#8:33])(-[#8:34])-[#8:35].[#8:16]-[#6@@:15](-[#6@@:8])(-[H:53])-[#6@:17](-[#6@:6])(-[#8:18])-[H:55])
EVODEX.1-Em563 - Reaction Operator Em
[H]-[#8:18]-[#15:16].[#6]-[#8]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]>>[#15:16]-[#8:18]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]
EVODEX.1-Nm509 - Reaction Operator Nm
[H]-[#8:18]-[#15:16].[#6]-[#8]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]>>[#15:16]-[#8:18]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]
Source Full Reactions
EVODEX.1-R4319
[H][O:13][P:11]([O:10][C:9]([C@@:8]1([H:51])[O:7][C@:6]([N:5]2:[C:4]([H:45]):[C:3]([H:44]):[C:2]([N:1]([H:56])[H:57]):[N:21]:[C:19]:2=[O:20])([H:46])[C@@:17]([O:18][H:54])([H:55])[C@@:15]1([O:16][H:52])[H:53])([H:49])[H:50])(=[O:12])[O:14][H:48].[O:22]=[P:23]([O:24][H:58])([O:25][H:59])[O:26][C:27]([C@@:28]1([H:60])[O:29][C@@:30]([O:31][P:32](=[O:33])([O:34][H:61])[O:35][P:36](=[O:37])([O:38][H:62])[O:39][H:63])([H:64])[C@@:40]([O:41][H:65])([H:66])[C@@:42]1([O:43][H:67])[H:68])([H:69])[H:70]>>[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][P:32](=[O:33])([O:34][H:61])[O:35][P:36](=[O:37])([O:38][H:62])[O:39][H:63])[O:14][H:48])([H:49])[H:50])([H:51])[C@:15]([O:16][H:52])([H:53])[C@:17]2([O:18][H:54])[H:55]):[C:19](=[O:20]):[N:21]:1)([H:56])[H:57].[H][O:31][C:30]1([H:64])[O:29][C@@:28]([C:27]([O:26][P:23](=[O:22])([O:24][H:58])[O:25][H:59])([H:69])[H:70])([H:60])[C@:42]([O:43][H:67])([H:68])[C@:40]1([O:41][H:65])[H:66]