Water → [2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-cyclohexyl-acetic acid ethyl ester

HRID 666609Notes

Reaction equation

HRID 666609 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH2:24]([CH3:25])[O:26][C:27]([CH:28]([CH:29]1[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]1)[Br:35])=[O:36].[CH3:19][N:20]([CH3:21])[CH:22]=[O:23].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([nH:12]2)[cH:13][c:14]([F:18])[c:15]([F:17])[cH:16]3)[cH:6][cH:7]1.[Cs+:41].[Cs+:42].[OH2:49]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH:28]([C:27]([O:26][CH2:24][CH3:25])=[O:36])[CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[cH:13][c:14]([F:18])[c:15]([F:17])[cH:16]3)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 2762757Ethyl 2-bromo-2-cyclohexylacetateHCID 609805362-(4-Chloro-phenyl)-5,6-difluoro-1H-benzoimidazole

Product 1

HCID 66619480[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-cyclohexyl-acetic acid ethyl ester

Sources & evidence

ORD record
ord-a0bd5706e3b64f1d966e34aae9ce1dfb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…