Isovaleryl chloride → 1-Isovalerylamino-2-(2-hydroxymethylphenyl)ethane

HRID 1575065Notes

Reaction equation

HRID 1575065 reaction equation
[C:12]([CH2:13][CH:14]([CH3:15])[CH3:16])(=[O:17])[Cl:18].[NH2:1][CH2:2][CH2:3][c:4]1[c:5]([CH2:10][OH:11])[cH:6][cH:7][cH:8][cH:9]1.[c:19]1([C:20]2=[N:30][CH2:29][CH2:28][c:22]3[c:21]2[cH:27][cH:26][cH:25][c:23]3[Cl:24])[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[NH:1]([CH2:2][CH2:3][c:4]1[c:5]([CH2:10][OH:11])[cH:6][cH:7][cH:8][cH:9]1)[C:12]([CH2:13][CH:14]([CH3:15])[CH3:16])=[O:17]

Participants

4

Reactant 3

HCID 66054Isovaleryl chlorideHCID 12832783[2-(2-Aminoethyl)phenyl]methanolHCID 149989111-Phenyl-5-chloro-3,4-dihydroisoquinoline

Product 1

HCID 205339621-Isovalerylamino-2-(2-hydroxymethylphenyl)ethane

Sources & evidence

ORD record
ord-7a62a75b40a145f3b039fe0d6fce0eb5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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