Dimethyl Sulfoxide → 3-Chloro-4-(2-hydroxy-1-methyl-ethylamino)-benzonitrile

HRID 95183

Reaction equation

HRID 95183 reaction equation
[CH3:17][S:18]([CH3:19])=[O:20].[Cl:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[F:10].[NH2:11][CH:12]([CH2:13][OH:14])[CH3:15].[OH2:16]>>[Cl:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[NH:11][CH:12]([CH2:13][OH:14])[CH3:15]

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 51262-AminopropanolHCID 1455253-Chloro-4-fluorobenzonitrile

Product 1

HCID 630942843-Chloro-4-(2-hydroxy-1-methyl-ethylamino)-benzonitrile

Sources & evidence

ORD record
ord-81f937b6d24d4330ab86e32c33854292
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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