Benzocaine → 4-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-benzoic acid ethyl ester

HRID 186982Notes

Reaction equation

HRID 186982 reaction equation
[CH3:29][CH2:30][O:31][C:32](=[O:33])[c:34]1[cH:35][cH:36][c:37]([NH2:38])[cH:39][cH:40]1.[CH3:45][N:46]([CH3:47])[c:48]1[cH:49][cH:50][n:51][cH:52][cH:53]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])[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.[Cl:54][CH2:55][Cl:56].[S:41]([Cl:42])([Cl:43])=[O:44]>>[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])[NH:38][c:37]2[cH:36][cH:35][c:34]([C:32]([O:31][CH2:30][CH3:29])=[O:33])[cH:40][cH:39]2)[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

6

Reactant 5

HCID 2337BenzocaineHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 24386Thionyl ChlorideHCID 66619321[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-cyclohexyl-acetic acid

Product 1

HCID 686454934-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-benzoic acid ethyl ester

Sources & evidence

ORD record
ord-266874ab0f39447187d691ed8098c1af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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