SMIRKS
[N:1]([C:2]1:[C:3]2:[N:4]:[C:5]([H:52]):[N:6]([C@@:7]3([H:53])[O:8][C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:54])[O:15][P:16](=[O:17])([O:18][H:55])[O:19][P:20](=[O:21])([O:22][H:56])[O:23][H:57])([H:58])[H:59])([H:60])[C@@:24]([O:25][H:61])([H:62])[C@@:26]3([O:27][H:63])[H:64]):[C:28]:2:[N:29]:[C:30]([H:65]):[N+:31]:1[C:32]([C:33](=[O:34])[O:35][H:66])([H:67])[H:68])([H:69])[H:70]>>[H][O:19][P:16]([O:15][P:12]([O:11][C:10]([C@:9]1([H:60])[O:8][C@@:7]([N:6]2:[C:5]([H:52]):[N:4]:[C:3]3:[C:2]([N:1]([H:69])[H:70]):[N+:31]([C:32]([C:33](=[O:34])[O:35][H:66])([H:67])[H:68]):[C:30]([H:65]):[N:29]:[C:28]:3:2)([H:53])[C@:26]([O:27][H:63])([H:64])[C@:24]1([O:25][H:61])[H:62])([H:58])[H:59])(=[O:13])[O:14][H:54])(=[O:17])[O:18][H:55].[H]OC1(C([H])([H])O[P:20](=[O:21])([O:22][H:56])[O:23][H:57])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-C970 - Reaction Operator C
([#8:35]-[#15:36].[#6@:40]-[#6@:42])>>([H]-[#8:35].[#6@@:42]-[#6@@:40]).[H]-[#8]-[#6]1(-[#6](-[H])(-[H])-[#8]-[#15:36])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]
EVODEX.1-N1212 - Reaction Operator N
([#15:32]-[#8:35]-[#15:36](=[#8:37])(-[#8:38])-[#8:39].[#8:41]-[#6@@:40](-[#6@@:29])(-[H:55])-[#6@:42](-[#6@:27])(-[#8:43])-[H:57])>>([H]-[#8:35]-[#15:32].[#8:43]-[#6@:42](-[#6@:27])(-[H:57])-[#6@@:40](-[#6@@:29])(-[#8:41])-[H:55]).[H]-[#8]-[#6]1(-[#6](-[H])(-[H])-[#8]-[#15:36](=[#8:37])(-[#8:38])-[#8:39])-[#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-R3880
[N:1]([C:2]1:[C:3]2:[N:4]:[C:5]([H:52]):[N:6]([C@@:7]3([H:53])[O:8][C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:54])[O:15][P:16](=[O:17])([O:18][H:55])[O:19][P:20](=[O:21])([O:22][H:56])[O:23][H:57])([H:58])[H:59])([H:60])[C@@:24]([O:25][H:61])([H:62])[C@@:26]3([O:27][H:63])[H:64]):[C:28]:2:[N:29]:[C:30]([H:65]):[N+:31]:1[C:32]([C:33](=[O:34])[O:35][H:66])([H:67])[H:68])([H:69])[H:70].[H][O:47][C:46]([C:44]1([O:45][H:74])[O:43][C@@:42]([C:41]([O:40][P:37](=[O:36])([O:38][H:71])[O:39][H:72])([H:82])[H:83])([H:73])[C@:50]([O:51][H:80])([H:81])[C@@:48]1([O:49][H:78])[H:79])([H:76])[H:77]>>[H][O:19][P:16]([O:15][P:12]([O:11][C:10]([C@:9]1([H:60])[O:8][C@@:7]([N:6]2:[C:5]([H:52]):[N:4]:[C:3]3:[C:2]([N:1]([H:69])[H:70]):[N+:31]([C:32]([C:33](=[O:34])[O:35][H:66])([H:67])[H:68]):[C:30]([H:65]):[N:29]:[C:28]:3:2)([H:53])[C@:26]([O:27][H:63])([H:64])[C@:24]1([O:25][H:61])[H:62])([H:58])[H:59])(=[O:13])[O:14][H:54])(=[O:17])[O:18][H:55].[P:20](=[O:21])([O:22][H:56])([O:23][H:57])[O:47][C:46]([C:44]1([O:45][H:74])[O:43][C@@:42]([C:41]([O:40][P:37](=[O:36])([O:38][H:71])[O:39][H:72])([H:82])[H:83])([H:73])[C@:50]([O:51][H:80])([H:81])[C@@:48]1([O:49][H:78])[H:79])([H:76])[H:77]