Acetonitrile → N-acetyl-4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)octanoylamino]benzamide

HRID 169928Notes

Reaction equation

HRID 169928 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([NH:14][C:15]([CH2:16][CH:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[c:23]2[c:24]([O:31][CH3:32])[cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)=[O:33])[cH:7][c:8]([C:11]([NH2:12])=[O:13])[cH:9][cH:10]1.[C:34]([CH3:35])(=[O:36])[n:37]1[cH:38][cH:39][n:40][cH:41]1.[CH3:42][C:43]#[N:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([NH:14][C:15]([CH2:16][CH:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[c:23]2[c:24]([O:31][CH3:32])[cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)=[O:33])[cH:7][c:8]([C:11]([NH:12][C:34]([CH3:35])=[O:36])=[O:13])[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 171741-(1H-Imidazol-1-yl)ethanoneHCID 19348437N-(2-t-Butyl-5-carbamoylphenyl)-3-(2,4-dimethoxyphenyl)octanamide

Product 1

HCID 19348537N-acetyl-4-tert-butyl-3-[3-(2,4-dimethoxyphenyl)octanoylamino]benzamide

Sources & evidence

ORD record
ord-3eb89032ef34486cb332d30926d63f77
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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