SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]([H:43]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:44]):[N:10]:2[C@:11]1([H:45])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:46])[O:19][P:20](=[O:21])([O:22][H:47])[O:23][P:24](=[O:25])([O:26][H:48])[O:27][H:49])([H:50])[H:51])([H:52])[C:28]([H:53])([H:54])[C@:29]1([O:30][H:55])[H:56])([H:57])[H:58]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:52])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:43]):[N:3]:[C:2]([N:1]([H:57])[H:58]):[C:7]:3:[N:8]:[C:9]:2[H:44])([H:45])[C@@:29]([O:30][H:55])([H:56])[C:28]1([H:53])[H:54])([H:50])[H:51])(=[O:17])[O:18][H:46])(=[O:21])[O:22][H:47].[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[P:24](=[O:25])([O:26][H:48])[O:27][H:49])[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-R4085
[N:1]([C:2]1:[N:3]:[C:4]([H:43]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:44]):[N:10]:2[C@:11]1([H:45])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:46])[O:19][P:20](=[O:21])([O:22][H:47])[O:23][P:24](=[O:25])([O:26][H:48])[O:27][H:49])([H:50])[H:51])([H:52])[C:28]([H:53])([H:54])[C@:29]1([O:30][H:55])[H:56])([H:57])[H:58].[H][O:36][C:35]1([H:61])[O:34][C@@:33]([C:32]([O:31][H:70])([H:68])[H:69])([H:59])[C@@:41]([O:42][H:66])([H:67])[C@@:39]([O:40][H:64])([H:65])[C@:37]1([O:38][H:62])[H:63]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:52])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:43]):[N:3]:[C:2]([N:1]([H:57])[H:58]):[C:7]:3:[N:8]:[C:9]:2[H:44])([H:45])[C@@:29]([O:30][H:55])([H:56])[C:28]1([H:53])[H:54])([H:50])[H:51])(=[O:17])[O:18][H:46])(=[O:21])[O:22][H:47].[P:24](=[O:25])([O:26][H:48])([O:27][H:49])[O:36][C@@:35]1([H:61])[O:34][C@@:33]([C:32]([O:31][H:70])([H:68])[H:69])([H:59])[C@@:41]([O:42][H:66])([H:67])[C@@:39]([O:40][H:64])([H:65])[C@:37]1([O:38][H:62])[H:63]