SMIRKS
[H][C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:42])([H:43])[H:44].[N:7]([C:8]1:[N:9]:[C:10]([H:46]):[N:11]:[C:12]2:[C:13]:1:[N:14]:[C:15]([H:47]):[N:16]:2[C@:17]1([H:48])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:49])[O:25][P:26](=[O:27])([O:28][H:50])[O:29][P:30](=[O:31])([O:32][H:51])[O:33][H:52])([H:53])[H:54])([H:55])[C@:34]([O:35][H:56])([H:57])[C@:36]1([O:37][H:58])[H:59])([H:60])[H:61]>>[H]OC(=O)[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:42])([H:43])[H:44].[H]O[P:26]([O:25][P:22]([O:21][C:20]([C@@:19]1([H:55])[O:18][C@:17]([N:16]2:[C:12]3:[N:11]:[C:10]([H:46]):[N:9]:[C:8]([N:7]([H:60])[H:61]):[C:13]:3:[N:14]:[C:15]:2[H:47])([H:48])[C@@:36]([O:37][H:58])([H:59])[C@@:34]1([O:35][H:56])[H:57])([H:53])[H:54])(=[O:23])[O:24][H:49])(=[O:27])[O:28][H:50].[H][O:29][P:30](=[O:31])([O:32][H:51])[O:33][H:52]
Derived Operators
EVODEX.1-F155 - Elemental Balance
| O | 3 |
| C | 1 |
| H | 2 |
EVODEX.1-M255 - Mass Difference
62.00035999999999
EVODEX.1-E818 - Reaction Operator E
[#6:7]-[#6:8](-[H:98])(-[H:99])-[H].[#15:79]-[#8:82]-[#15:83](=[#8:84])(-[#8:85])-[#8:86]>>[#6:7]-[#6:8](-[#6](=[#8])-[#8]-[H])(-[H:98])-[H:99].[#15:79]-[#8:82]-[H].[#15:83](=[#8:84])(-[#8:85])(-[#8:86])-[#8]-[H]
EVODEX.1-C858 - Reaction Operator C
[H]-[#6:1].([#15:73]-[#8:76].[#6@:81]-[#6@:83])>>[H]-[#8]-[#6](=[#8])-[#6:1].([H]-[#8]-[#15:73].[#6@@:83]-[#6@@:81]).[H]-[#8:76]
EVODEX.1-N1069 - Reaction Operator N
[H]-[#6:1](-[#6:2])(-[H:126])-[H:127].([#8:72]-[#15:73](=[#8:74])(-[#8:75])-[#8:76]-[#15:77].[#8:82]-[#6@@:81](-[#6@@:66])(-[H:140])-[#6@:83](-[#6@:64])(-[#8:84])-[H:142])>>[H]-[#8]-[#6](=[#8])-[#6:1](-[#6:2])(-[H:126])-[H:127].([H]-[#8]-[#15:73](-[#8:72])(=[#8:74])-[#8:75].[#8:84]-[#6@:83](-[#6@:64])(-[H:142])-[#6@@:81](-[#6@@:66])(-[#8:82])-[H:140]).[H]-[#8:76]-[#15:77]
EVODEX.1-Em807 - Reaction Operator Em
[H]-[#6:1]-[#6:2].[#8:72]-[#15:73](=[#8:74])(-[#8:75])-[#8:76]-[#15:77]>>[#8]-[#6](=[#8])-[#6:1]-[#6:2].[H]-[#8]-[#15:73](-[#8:72])(=[#8:74])-[#8:75].[H]-[#8:76]-[#15:77]
EVODEX.1-Cm326 - Reaction Operator Cm
[H]-[#6:1].[#15:73]-[#8:76]>>[#6]-[#6:1].[#8]-[#15:73].[H]-[#8:76]
EVODEX.1-Nm723 - Reaction Operator Nm
[H]-[#6:1]-[#6:2].[#8:72]-[#15:73](=[#8:74])(-[#8:75])-[#8:76]-[#15:77]>>[#8]-[#6](=[#8])-[#6:1]-[#6:2].[H]-[#8]-[#15:73](-[#8:72])(=[#8:74])-[#8:75].[H]-[#8:76]-[#15:77]
Source Full Reactions
EVODEX.1-R7940
[H][C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:42])([H:43])[H:44].[N:7]([C:8]1:[N:9]:[C:10]([H:46]):[N:11]:[C:12]2:[C:13]:1:[N:14]:[C:15]([H:47]):[N:16]:2[C@:17]1([H:48])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:49])[O:25][P:26](=[O:27])([O:28][H:50])[O:29][P:30](=[O:31])([O:32][H:51])[O:33][H:52])([H:53])[H:54])([H:55])[C@:34]([O:35][H:56])([H:57])[C@:36]1([O:37][H:58])[H:59])([H:60])[H:61].[O:38]=[C:39]([O:40][H:62])[O:41][H:63]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:42])([C:39](=[O:38])[O:41][H:63])([H:43])[H:44].[N:7]([C:8]1:[N:9]:[C:10]([H:46]):[N:11]:[C:12]2:[C:13]:1:[N:14]:[C:15]([H:47]):[N:16]:2[C@:17]1([H:48])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:49])[O:25][P:26](=[O:27])([O:28][H:50])[O:40][H:62])([H:53])[H:54])([H:55])[C@:34]([O:35][H:56])([H:57])[C@:36]1([O:37][H:58])[H:59])([H:60])[H:61].[H][O:29][P:30](=[O:31])([O:32][H:51])[O:33][H:52]