Ammonium → (-)-2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetamide

HRID 691641Notes

Reaction equation

HRID 691641 reaction equation
[CH2:31]([N:33]([CH:32]([CH3:34])[CH3:35])[CH:36]([CH3:37])[CH3:38])[CH3:39].[CH3:52][N:53]([CH3:54])[CH2:55][CH2:56][CH2:57][N:58]=[C:59]=[N:60][CH2:61][CH3:62].[CH:63]([N:64]([CH3:65])[CH3:66])=[O:67].[Cl-:29].[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:13]([C:14](=[O:15])[OH:16])[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:23][c:24]([F:28])[c:25]([F:27])[cH:26]3)[cH:6][cH:7]1.[ClH:51].[NH4+:30].[OH2:40].[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[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:13]([C:14](=[O:15])[NH2:33])[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:23][c:24]([F:28])[c:25]([F:27])[cH:26]3)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 66619321[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-cyclohexyl-acetic acid

Product 1

HCID 66619362(-)-2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetamide

Sources & evidence

ORD record
ord-48005d3aad454f1cbe7522e396caa7c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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