1,2-Dichloroethane → (RS)-1-[2-(5,6-Difluoro-1H-benzoimidazol-2-ylmethyl)-piperidin-1-yl]-1-[5-(4-fluoro-phenyl)-2-hydroxymethyl-thiazol-4-yl]-methanone

HRID 190452Notes

Reaction equation

HRID 190452 reaction equation
[CH2:18]([Cl:19])[CH2:20][Cl:21].[ClH:22].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:15](=[O:16])[OH:17])[n:10][c:11]([CH2:13][OH:14])[s:12]2)[cH:6][cH:7]1.[F:33][c:34]1[cH:35][c:36]2[c:37]([nH:38][c:39]([CH2:41][CH:42]3[NH:43][CH2:44][CH2:45][CH2:46][CH2:47]3)[n:40]2)[cH:48][c:49]1[F:50].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH:23][n:24]1[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[n:31][n:32]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:15](=[O:17])[N:43]3[CH:42]([CH2:41][c:39]4[nH:38][c:37]5[c:36]([cH:35][c:34]([F:33])[c:49]([F:50])[cH:48]5)[n:40]4)[CH2:47][CH2:46][CH2:45][CH2:44]3)[n:10][c:11]([CH2:13][OH:14])[s:12]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 17973671HCID 17973671, compoundHCID 234501385-(4-Fluoro-phenyl)-2-hydroxymethyl-thiazole-4-carboxylic acid

Product 1

HCID 17973696(RS)-1-[2-(5,6-Difluoro-1H-benzoimidazol-2-ylmethyl)-piperidin-1-yl]-1-[5-(4-fluoro-phenyl)-2-hydroxymethyl-thiazol-4-yl]-methanone

Sources & evidence

ORD record
ord-445be072dca34a488b37799866c538ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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