SMIRKS
[O:1]=[C:2]1:[N:3]([H:44]):[C:4]([H:45]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:46]):[N:10]:2[C@:11]1([H:47])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:48])[O:19][P:20](=[O:21])([O:22][H:49])[O:23][P:24](=[O:25])([O:26][H:50])[O:27][H:51])([H:52])[H:53])([H:54])[C@:28]([O:29][H:55])([H:56])[C@:30]1([O:31][H:57])[H:58]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:54])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:45]):[N:3]([H:44]):[C:2](=[O:1]):[C:7]:3:[N:8]:[C:9]:2[H:46])([H:47])[C@@:30]([O:31][H:57])([H:58])[C@@:28]1([O:29][H:55])[H:56])([H:52])[H:53])(=[O:17])[O:18][H:48])(=[O:21])[O:22][H:49].[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[P:24](=[O:25])([O:26][H:50])[O:27][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-C1087 - Reaction Operator C
([#8:18]-[#15:19].[#6@:23]-[#6@:25])>>([H]-[#8:18].[#6@@:25]-[#6@@:23]).[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#15:19])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]
EVODEX.1-N1336 - Reaction Operator N
([#15:15]-[#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:22].[#8:24]-[#6@@:23](-[#6@@:8])(-[H:53])-[#6@:25](-[#6@:6])(-[#8:26])-[H:55])>>([H]-[#8:18]-[#15:15].[#8:26]-[#6@:25](-[#6@:6])(-[H:55])-[#6@@:23](-[#6@@:8])(-[#8:24])-[H:53]).[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[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-R4090
[O:1]=[C:2]1:[N:3]([H:44]):[C:4]([H:45]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:46]):[N:10]:2[C@:11]1([H:47])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:48])[O:19][P:20](=[O:21])([O:22][H:49])[O:23][P:24](=[O:25])([O:26][H:50])[O:27][H:51])([H:52])[H:53])([H:54])[C@:28]([O:29][H:55])([H:56])[C@:30]1([O:31][H:57])[H:58].[H][O:37][C:36]1([H:61])[O:35][C@@:34]([C:33]([O:32][H:70])([H:68])[H:69])([H:59])[C@@:42]([O:43][H:66])([H:67])[C@@:40]([O:41][H:64])([H:65])[C@:38]1([O:39][H:62])[H:63]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:54])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:45]):[N:3]([H:44]):[C:2](=[O:1]):[C:7]:3:[N:8]:[C:9]:2[H:46])([H:47])[C@@:30]([O:31][H:57])([H:58])[C@@:28]1([O:29][H:55])[H:56])([H:52])[H:53])(=[O:17])[O:18][H:48])(=[O:21])[O:22][H:49].[P:24](=[O:25])([O:26][H:50])([O:27][H:51])[O:37][C@@:36]1([H:61])[O:35][C@@:34]([C:33]([O:32][H:70])([H:68])[H:69])([H:59])[C@@:42]([O:43][H:66])([H:67])[C@@:40]([O:41][H:64])([H:65])[C@:38]1([O:39][H:62])[H:63]