Bicarbonate Ion → N-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-N-ethyl-1H-pyrrole-2-carboxamide
Reaction equation
[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:34][c:35]1[cH:36][c:37]([C:38]#[N:39])[cH:40][c:41]([O:43][c:44]2[c:45]([F:55])[c:46]([CH2:51][NH:52][CH2:53][CH3:54])[cH:47][cH:48][c:49]2[Cl:50])[cH:42]1.[Na+:68].[O-:64][C:65]([OH:66])=[O:67].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH:56][C:57](=[O:58])[c:59]1[cH:60][cH:61][cH:62][nH:63]1.[P-:10]([F:11])([F:12])([F:13])([F:14])([F:15])[F:16].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[n:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[Cl:34][c:35]1[cH:36][c:37]([C:38]#[N:39])[cH:40][c:41]([O:43][c:44]2[c:45]([F:55])[c:46]([CH2:51][N:52]([CH2:53][CH3:54])[C:57](=[O:58])[c:59]3[cH:60][cH:61][cH:62][nH:63]3)[cH:47][cH:48][c:49]2[Cl:50])[cH:42]1Participants
10
Reactant 9
HCID 769Bicarbonate Ion
HCID 923Sodium ion
HCID 6228Dimethylformamide
HCID 8857Ethyl Acetate
HCID 9886Hexafluorophosphate
HCID 12473Pyrrole-2-Carboxylic Acid
HCID 81531Diisopropylethylamine
HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 684856043-Chloro-5-({6-chloro-3-[(ethylamino)methyl]-2-fluorophenyl}oxy)benzonitrileProduct 1
Sources & evidence
- ORD record
- ord-ef4ee3fddaae4c5ead4d9889de0d00ff
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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