SMIRKS
[O:1]=[C:2]1:[C:3]([H:42]):[C:4]([H:43]):[N:5]([C@:6]2([H:44])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:45])[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]2([O:26][H:54])[H:55]):[C:27](=[O:28]):[N:29]:1[H:56]>>[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:51])[O:7][C@:6]([N:5]2:[C:4]([H:43]):[C:3]([H:42]):[C:2](=[O:1]):[N:29]([H:56]):[C:27]:2=[O:28])([H:44])[C@@:25]([O:26][H:54])([H:55])[C@@:23]1([O:24][H:52])[H:53])([H:49])[H:50])(=[O:12])[O:13][H:45])(=[O:16])[O:17][H:46].[H]OC1([H])O[C@]([H])(C([H])([H])O[P:19](=[O:20])([O:21][H:47])[O:22][H:48])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
Derived Operators
EVODEX.1-F315 - Elemental Balance
| O | 6 |
| C | 6 |
| H | 12 |
EVODEX.1-M53 - Mass Difference
180.06336000000002
EVODEX.1-E1088 - Reaction Operator E
[#15:17]-[#8:20]-[#15:21](=[#8:22])(-[#8:23])-[#8:24]>>[#15:17]-[#8:20]-[H].[#15:21](=[#8:22])(-[#8:23])(-[#8:24])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C967 - Reaction Operator C
([#8:18]-[#15:19].[#6@:23]-[#6@:25])>>([H]-[#8:18].[#6@@:25]-[#6@@:23]).[H]-[#8]-[#6]1(-[H])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15:19])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]
EVODEX.1-N1210 - Reaction Operator N
([#15:15]-[#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:22].[#8:24]-[#6@@:23](-[#6@@:12])(-[H:51])-[#6@:25](-[#6@:10])(-[#8:26])-[H:53])>>([H]-[#8:18]-[#15:15].[#8:26]-[#6@:25](-[#6@:10])(-[H:53])-[#6@@:23](-[#6@@:12])(-[#8:24])-[H:51]).[H]-[#8]-[#6]1(-[H])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15:19](=[#8:20])(-[#8:21])-[#8:22])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[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-R3865
[O:1]=[C:2]1:[C:3]([H:42]):[C:4]([H:43]):[N:5]([C@:6]2([H:44])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:45])[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]2([O:26][H:54])[H:55]):[C:27](=[O:28]):[N:29]:1[H:56].[H][O:30][C:31]([C@@:32]1([H:57])[O:33][C:34]([O:35][H:58])([H:59])[C@@:36]([O:37][H:60])([H:61])[C@:38]([O:39][H:62])([H:63])[C@@:40]1([O:41][H:64])[H:65])([H:66])[H:67]>>[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:51])[O:7][C@:6]([N:5]2:[C:4]([H:43]):[C:3]([H:42]):[C:2](=[O:1]):[N:29]([H:56]):[C:27]:2=[O:28])([H:44])[C@@:25]([O:26][H:54])([H:55])[C@@:23]1([O:24][H:52])[H:53])([H:49])[H:50])(=[O:12])[O:13][H:45])(=[O:16])[O:17][H:46].[P:19](=[O:20])([O:21][H:47])([O:22][H:48])[O:30][C:31]([C@@:32]1([H:57])[O:33][C:34]([O:35][H:58])([H:59])[C@@:36]([O:37][H:60])([H:61])[C@:38]([O:39][H:62])([H:63])[C@@:40]1([O:41][H:64])[H:65])([H:66])[H:67]