SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]([H:44]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:45]):[N:10]:2[C@:11]1([H:46])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:47])[O:19][P:20](=[O:21])([O:22][H:48])[O:23][P:24](=[O:25])([O:26][H:49])[O:27][H:50])([H:51])[H:52])([H:53])[C@:28]([O:29][H:54])([H:55])[C@:30]1([O:31][H:56])[H:57])([H:58])[H:59]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:53])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:44]):[N:3]:[C:2]([N:1]([H:58])[H:59]):[C:7]:3:[N:8]:[C:9]:2[H:45])([H:46])[C@@:30]([O:31][H:56])([H:57])[C@@:28]1([O:29][H:54])[H:55])([H:51])[H:52])(=[O:17])[O:18][H:47])(=[O:21])[O:22][H:48].[H]O[C@@]([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[P:24](=[O:25])([O:26][H:49])[O:27][H:50])[C@@]([H])(O[H])C([H])=O
Derived Operators
EVODEX.1-F315 - Elemental Balance
| O | 6 |
| C | 6 |
| H | 12 |
EVODEX.1-M53 - Mass Difference
180.06336000000002
EVODEX.1-E1089 - 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@](-[#6@](-[#6@@](-[#6@](-[#6](=[#8])-[H])(-[#8]-[H])-[H])(-[#8]-[H])-[H])(-[#8]-[H])-[H])(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C968 - Reaction Operator C
([#8:28]-[#15:29].[#6@:33]-[#6@:35])>>([H]-[#8:28].[#6@@:35]-[#6@@:33]).[H]-[#8]-[#6@@](-[H])(-[#6@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[#15:29])-[#6@@](-[H])(-[#8]-[H])-[#6](-[H])=[#8]
EVODEX.1-N1211 - Reaction Operator N
([#15:25]-[#8:28]-[#15:29](=[#8:30])(-[#8:31])-[#8:32].[#8:34]-[#6@@:33](-[#6@@:18])(-[H:61])-[#6@:35](-[#6@:16])(-[#8:36])-[H:63])>>([H]-[#8:28]-[#15:25].[#8:36]-[#6@:35](-[#6@:16])(-[H:63])-[#6@@:33](-[#6@@:18])(-[#8:34])-[H:61]).[H]-[#8]-[#6@@](-[H])(-[#6@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[#15:29](=[#8:30])(-[#8:31])-[#8:32])-[#6@@](-[H])(-[#8]-[H])-[#6](-[H])=[#8]
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-R3862
[N:1]([C:2]1:[N:3]:[C:4]([H:44]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:45]):[N:10]:2[C@:11]1([H:46])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:47])[O:19][P:20](=[O:21])([O:22][H:48])[O:23][P:24](=[O:25])([O:26][H:49])[O:27][H:50])([H:51])[H:52])([H:53])[C@:28]([O:29][H:54])([H:55])[C@:30]1([O:31][H:56])[H:57])([H:58])[H:59].[H][O:43][C:42]([C@:40]([C@:38]([C@@:36]([C@:34]([C:33](=[O:32])[H:71])([O:35][H:60])[H:70])([O:37][H:61])[H:69])([O:39][H:62])[H:68])([O:41][H:63])[H:67])([H:65])[H:66]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:53])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:44]):[N:3]:[C:2]([N:1]([H:58])[H:59]):[C:7]:3:[N:8]:[C:9]:2[H:45])([H:46])[C@@:30]([O:31][H:56])([H:57])[C@@:28]1([O:29][H:54])[H:55])([H:51])[H:52])(=[O:17])[O:18][H:47])(=[O:21])[O:22][H:48].[P:24](=[O:25])([O:26][H:49])([O:27][H:50])[O:43][C:42]([C@:40]([C@:38]([C@@:36]([C@:34]([C:33](=[O:32])[H:71])([O:35][H:60])[H:70])([O:37][H:61])[H:69])([O:39][H:62])[H:68])([O:41][H:63])[H:67])([H:65])[H:66]