SMIRKS
[C:1]([C:2]1:[C:3]([H:46]):[N:4]([C@@:5]2([H:47])[C:6]([H:48])([H:49])[C@@:7]([O:8][H:50])([H:51])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:52])[O:15][P:16](=[O:17])([O:18][H:53])[O:19][P:20](=[O:21])([O:22][H:54])[O:23][H:55])([H:56])[H:57])([H:58])[O:24]2):[C:25](=[O:26]):[N:27]([H:59]):[C:28]:1=[O:29])([H:60])([H:61])[H:62]>>[H][O:19][P:16]([O:15][P:12]([O:11][C:10]([C@:9]1([H:58])[C@:7]([O:8][H:50])([H:51])[C:6]([H:48])([H:49])[C@@:5]([N:4]2:[C:3]([H:46]):[C:2]([C:1]([H:60])([H:61])[H:62]):[C:28](=[O:29]):[N:27]([H:59]):[C:25]:2=[O:26])([H:47])[O:24]1)([H:56])[H:57])(=[O:13])[O:14][H:52])(=[O:17])[O:18][H:53].[H]OC1(C([H])([H])O[P:20](=[O:21])([O:22][H:54])[O:23][H:55])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
Derived Operators
EVODEX.1-F399 - Elemental Balance
| P | 1 |
| O | 9 |
| C | 6 |
| H | 13 |
EVODEX.1-M157 - Mass Difference
260.02969
EVODEX.1-E1206 - Reaction Operator E
[#15:22]-[#8:25]-[#15:26](=[#8:27])(-[#8:28])-[#8:29]>>[#15:22]-[#8:25]-[H].[#8]=[#15](-[#8]-[H])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6](-[#8]-[H])(-[#6](-[#8]-[#15:26](=[#8:27])(-[#8:28])-[#8:29])(-[H])-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C1294 - Reaction Operator C
([#8:19]-[#15:20].[#6@@:7])>>([H]-[#8:19].[#6@:7]).[H]-[#8]-[#6]1(-[#6](-[H])(-[H])-[#8]-[#15:20])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]
EVODEX.1-N1614 - Reaction Operator N
([#6:6]-[#6@@:7](-[#8:8])(-[H:51])-[#6@:9].[#15:16]-[#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8:23])>>([H]-[#8:19]-[#15:16].[#8:8]-[#6@@:7](-[#6@:9])(-[H:51])-[#6:6]).[H]-[#8]-[#6]1(-[#6](-[H])(-[H])-[#8]-[#15:20](=[#8:21])(-[#8:22])-[#8:23])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[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-R3889
[C:1]([C:2]1:[C:3]([H:46]):[N:4]([C@@:5]2([H:47])[C:6]([H:48])([H:49])[C@@:7]([O:8][H:50])([H:51])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:52])[O:15][P:16](=[O:17])([O:18][H:53])[O:19][P:20](=[O:21])([O:22][H:54])[O:23][H:55])([H:56])[H:57])([H:58])[O:24]2):[C:25](=[O:26]):[N:27]([H:59]):[C:28]:1=[O:29])([H:60])([H:61])[H:62].[H][O:41][C:40]([C:38]1([O:39][H:66])[O:37][C@@:36]([C:35]([O:34][P:31](=[O:30])([O:32][H:63])[O:33][H:64])([H:74])[H:75])([H:65])[C@:44]([O:45][H:72])([H:73])[C@@:42]1([O:43][H:70])[H:71])([H:68])[H:69]>>[H][O:19][P:16]([O:15][P:12]([O:11][C:10]([C@:9]1([H:58])[C@:7]([O:8][H:50])([H:51])[C:6]([H:48])([H:49])[C@@:5]([N:4]2:[C:3]([H:46]):[C:2]([C:1]([H:60])([H:61])[H:62]):[C:28](=[O:29]):[N:27]([H:59]):[C:25]:2=[O:26])([H:47])[O:24]1)([H:56])[H:57])(=[O:13])[O:14][H:52])(=[O:17])[O:18][H:53].[P:20](=[O:21])([O:22][H:54])([O:23][H:55])[O:41][C:40]([C:38]1([O:39][H:66])[O:37][C@@:36]([C:35]([O:34][P:31](=[O:30])([O:32][H:63])[O:33][H:64])([H:74])[H:75])([H:65])[C@:44]([O:45][H:72])([H:73])[C@@:42]1([O:43][H:70])[H:71])([H:68])[H:69]
EVODEX.1-R4080
[C:1]([C:2]1:[C:3]([H:46]):[N:4]([C@@:5]2([H:47])[C:6]([H:48])([H:49])[C@@:7]([O:8][H:50])([H:51])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:52])[O:15][P:16](=[O:17])([O:18][H:53])[O:19][P:20](=[O:21])([O:22][H:54])[O:23][H:55])([H:56])[H:57])([H:58])[O:24]2):[C:25](=[O:26]):[N:27]([H:59]):[C:28]:1=[O:29])([H:60])([H:61])[H:62].[H][O:41][C:40]([C@@:39]1([H:69])[O:38][C@@:36]([C:35]([O:34][P:31](=[O:30])([O:32][H:63])[O:33][H:64])([H:74])[H:75])([O:37][H:65])[C@:44]([O:45][H:72])([H:73])[C@@:42]1([O:43][H:70])[H:71])([H:67])[H:68]>>[H][O:19][P:16]([O:15][P:12]([O:11][C:10]([C@:9]1([H:58])[C@:7]([O:8][H:50])([H:51])[C:6]([H:48])([H:49])[C@@:5]([N:4]2:[C:3]([H:46]):[C:2]([C:1]([H:60])([H:61])[H:62]):[C:28](=[O:29]):[N:27]([H:59]):[C:25]:2=[O:26])([H:47])[O:24]1)([H:56])[H:57])(=[O:13])[O:14][H:52])(=[O:17])[O:18][H:53].[P:20](=[O:21])([O:22][H:54])([O:23][H:55])[O:41][C:40]([C@@:39]1([H:69])[O:38][C@@:36]([C:35]([O:34][P:31](=[O:30])([O:32][H:63])[O:33][H:64])([H:74])[H:75])([O:37][H:65])[C@:44]([O:45][H:72])([H:73])[C@@:42]1([O:43][H:70])[H:71])([H:67])[H:68]