Water → 2-{4-[2-[1-(acetylamino)-1-methylethyl]-6-chloro-5-(trifluoromethyl)-1H-benzimidazol-1-yl]phenyl}ethyl acetate

HRID 91952Notes

Reaction equation

HRID 91952 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH2:6][c:7]1[cH:8][cH:9][c:10](-[n:13]2[c:14]([C:27]([CH3:28])([CH3:29])[NH2:30])[n:15][c:16]3[c:17]2[cH:18][c:19]([Cl:26])[c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]3)[cH:11][cH:12]1.[CH3:31][C:32]([Cl:33])=[O:34].[Cl:36][CH2:37][Cl:38].[OH2:35]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH2:6][c:7]1[cH:8][cH:9][c:10](-[n:13]2[c:14]([C:27]([CH3:28])([CH3:29])[NH:30][C:32]([CH3:31])=[O:34])[n:15][c:16]3[c:17]2[cH:18][c:19]([Cl:26])[c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]3)[cH:11][cH:12]1

Participants

5

Reactant 4

HCID 962WaterHCID 6344DichloromethaneHCID 6367Acetyl chlorideHCID 21876466HCID 21876466, compound

Product 1

HCID 218760062-{4-[2-[1-(acetylamino)-1-methylethyl]-6-chloro-5-(trifluoromethyl)-1H-benzimidazol-1-yl]phenyl}ethyl acetate

Sources & evidence

ORD record
ord-20d19bc1591c47588d198e6e1d8e8cd6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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