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]OC1([H])OC([H])(C([H])([H])O[P:24](=[O:25])([O:26][H:49])[O:27][H:50])C([H])(O[H])C([H])(O[H])C1([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-R4005
[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:32][H:60].[O:33]([C@:34]1([H:62])[C@:35]([O:36][H:63])([H:64])[C@:37]2([H:65])[O:38][C:39]([H:66])([H:67])[C@@:40]([H:68])([O:41]2)[C@:42]1([O:43][H:69])[H:70])[H:71]>>[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:38][C:39]([C@@:40]1([H:68])[O:41][C:37]([O:32][H:60])([H:65])[C@@:35]([O:36][H:63])([H:64])[C@:34]([O:33][H:71])([H:62])[C@@:42]1([O:43][H:69])[H:70])([H:66])[H:67]
EVODEX.1-R3861
[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:32][C:33]([C:34]1([H:60])[O:35][C:36]([O:37][H:61])([H:62])[C:38]([O:39][H:63])([H:64])[C:40]([O:41][H:65])([H:66])[C:42]1([O:43][H:67])[H:68])([H:69])[H:70]>>[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:32][C:33]([C:34]1([H:60])[O:35][C:36]([O:37][H:61])([H:62])[C:38]([O:39][H:63])([H:64])[C:40]([O:41][H:65])([H:66])[C:42]1([O:43][H:67])[H:68])([H:69])[H:70]