Dimethylformamide → Benzyl 3-(isopropylamino)benzoate

HRID 164483Notes

Reaction equation

HRID 164483 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[C:28]([CH:29]1[CH2:30][CH2:31][CH2:32][CH2:33][C:34]1=[O:35])(=[O:36])[CH:37]([CH3:38])[CH3:39].[CH3:24][CH:25]([CH3:26])[NH2:27].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cs+:5].[Cs+:6].[Cu:51]([I:52])[I:53].[I:7][c:8]1[cH:9][c:10]([C:11](=[O:12])[O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][cH:22][cH:23]1>>[c:8]1([NH:27][CH:25]([CH3:24])[CH3:26])[cH:9][c:10]([C:11](=[O:12])[O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][cH:22][cH:23]1

Participants

9

Reactant 8

HCID 6228DimethylformamideHCID 6363IsopropylamineHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 83717Copper iodideHCID 104967Cesium cation2×HCID 114693012-(2-Methylpropanoyl)cyclohexan-1-oneHCID 22254461Benzyl 3-iodobenzoate

Product 1

HCID 58501909Benzyl 3-(isopropylamino)benzoate

Sources & evidence

ORD record
ord-dd2ab8ab35a84100b61eb3b92c0df0a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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