SMIRKS
[O:45]=[C:46]([O:47][H:81])[C:48]([Cl:49])([Cl:50])[Cl:51]>>[H][C:46](=[O:45])[C:48]([Cl:49])([Cl:50])[Cl:51].[H][O:47][H:81]
Derived Operators
EVODEX.1-M3 - Mass Difference
2.01566
EVODEX.1-E6 - Reaction Operator E
[#6:6]-[#6:7](=[#8:8])-[#8:9]-[H:16]>>[#6:6]-[#6:7](=[#8:8])-[H].[#8:9](-[H:16])-[H]
EVODEX.1-N212 - Reaction Operator N
[#6:9]-[#6:10](=[#8:11])-[#8:12]-[H:20]>>[H]-[#6:10](-[#6:9])=[#8:11].[H]-[#8:12]-[H:20]
EVODEX.1-Em305 - Reaction Operator Em
[#6:9]-[#6:10](=[#8:11])-[#8:12]>>[H]-[#6:10](-[#6:9])=[#8:11].[H]-[#8:12]
EVODEX.1-Nm298 - Reaction Operator Nm
[#6:9]-[#6:10](=[#8:11])-[#8:12]>>[H]-[#6:10](-[#6:9])=[#8:11].[H]-[#8:12]
Source Full Reactions
EVODEX.1-R651
[HH].[H][C:44]1([H:77])[C:4]([C:2]([N:1]([H:79])[H:80])=[O:3])=[C:5]([H:52])[N:6]([C@:7]2([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][C:20]([C@@:21]3([H:56])[O:22][C@:23]([N:24]4:[C:25]([H:57]):[N:26]:[C:27]5:[C:28]([N:29]([H:58])[H:59]):[N:30]:[C:31]([H:60]):[N:32]:[C:33]:4:5)([H:61])[C@@:34]([O:35][H:62])([H:63])[C@@:36]3([O:37][H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[C@:38]([O:39][H:71])([H:72])[C@:40]2([O:41][H:73])[H:74])[C:42]([H:75])=[C:43]1[H:76].[O:45]=[C:46]([O:47][H:81])[C:48]([Cl:49])([Cl:50])[Cl:51]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:52]):[N+:6]([C@:7]2([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][C:20]([C@@:21]3([H:56])[O:22][C@:23]([N:24]4:[C:25]([H:57]):[N:26]:[C:27]5:[C:28]([N:29]([H:58])[H:59]):[N:30]:[C:31]([H:60]):[N:32]:[C:33]:4:5)([H:61])[C@@:34]([O:35][H:62])([H:63])[C@@:36]3([O:37][H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[C@:38]([O:39][H:71])([H:72])[C@:40]2([O:41][H:73])[H:74]):[C:42]([H:75]):[C:43]([H:76]):[C:44]:1[H:77])([H:79])[H:80].[H][C:46](=[O:45])[C:48]([Cl:49])([Cl:50])[Cl:51].[H][O:47][H:81]