SMIRKS
[N:1]([C:2]1:[C:3]([H:41]):[C:4]([H:42]):[N:5]([C@@:6]2([H:43])[C:7]([H:44])([H:45])[C@@:8]([O:9][H:46])([H:47])[C@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:48])[O:16][P:17](=[O:18])([O:19][H:49])[O:20][P:21](=[O:22])([O:23][H:50])[O:24][H:51])([H:52])[H:53])([H:54])[O:25]2):[C:26](=[O:27]):[N:28]:1)([H:55])[H:56]>>[H][O:20][P:17]([O:16][P:13]([O:12][C:11]([C@:10]1([H:54])[C@:8]([O:9][H:46])([H:47])[C:7]([H:44])([H:45])[C@@:6]([N:5]2:[C:4]([H:42]):[C:3]([H:41]):[C:2]([N:1]([H:55])[H:56]):[N:28]:[C:26]:2=[O:27])([H:43])[O:25]1)([H:52])[H:53])(=[O:14])[O:15][H:48])(=[O:18])[O:19][H:49].[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[P:21](=[O:22])([O:23][H:50])[O:24][H:51])[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-E1091 - Reaction Operator E
[#15:15]-[#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:22]>>[#15:15]-[#8:18]-[H].[#15:19](=[#8:20])(-[#8:21])(-[#8:22])-[#8]-[#6@@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H]
EVODEX.1-C990 - Reaction Operator C
([#8:20]-[#15:21].[#6@@:8])>>([H]-[#8:20].[#6@:8]).[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#15:21])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]
EVODEX.1-N1226 - Reaction Operator N
([#6:7]-[#6@@:8](-[#8:9])(-[H:47])-[#6@:10].[#15:17]-[#8:20]-[#15:21](=[#8:22])(-[#8:23])-[#8:24])>>([H]-[#8:20]-[#15:17].[#8:9]-[#6@@:8](-[#6@:10])(-[H:47])-[#6:7]).[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#15:21](=[#8:22])(-[#8:23])-[#8:24])-[#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-R4087
[N:1]([C:2]1:[C:3]([H:41]):[C:4]([H:42]):[N:5]([C@@:6]2([H:43])[C:7]([H:44])([H:45])[C@@:8]([O:9][H:46])([H:47])[C@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:48])[O:16][P:17](=[O:18])([O:19][H:49])[O:20][P:21](=[O:22])([O:23][H:50])[O:24][H:51])([H:52])[H:53])([H:54])[O:25]2):[C:26](=[O:27]):[N:28]:1)([H:55])[H:56].[H][O:34][C:33]1([H:59])[O:32][C@@:31]([C:30]([O:29][H:68])([H:66])[H:67])([H:57])[C@@:39]([O:40][H:64])([H:65])[C@@:37]([O:38][H:62])([H:63])[C@:35]1([O:36][H:60])[H:61]>>[H][O:20][P:17]([O:16][P:13]([O:12][C:11]([C@:10]1([H:54])[C@:8]([O:9][H:46])([H:47])[C:7]([H:44])([H:45])[C@@:6]([N:5]2:[C:4]([H:42]):[C:3]([H:41]):[C:2]([N:1]([H:55])[H:56]):[N:28]:[C:26]:2=[O:27])([H:43])[O:25]1)([H:52])[H:53])(=[O:14])[O:15][H:48])(=[O:18])[O:19][H:49].[P:21](=[O:22])([O:23][H:50])([O:24][H:51])[O:34][C@@:33]1([H:59])[O:32][C@@:31]([C:30]([O:29][H:68])([H:66])[H:67])([H:57])[C@@:39]([O:40][H:64])([H:65])[C@@:37]([O:38][H:62])([H:63])[C@:35]1([O:36][H:60])[H:61]