Acetone → HCID 59834466, compound

HRID 2152514Notes

Reaction equation

HRID 2152514 reaction equation
[CH3:23][CH:24]([CH3:25])[OH:26].[CH3:27][C:28](=[O:29])[CH3:30].[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[Cl:1][c:2]1[cH:3][c:4]([CH2:20][CH2:21][OH:22])[cH:5][c:6]([Cl:19])[c:7]1[S:8][c:9]1[n:10][n:11][c:12]([Cl:18])[c:13]([CH:15]([CH3:16])[CH3:17])[cH:14]1.[OH2:37]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:20][C:21](=[O:22])[OH:26])[cH:5][c:6]([Cl:19])[c:7]1[S:8][c:9]1[n:10][n:11][c:12]([Cl:18])[c:13]([CH:15]([CH3:16])[CH3:17])[cH:14]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 962WaterHCID 3776IsopropanolHCID 8857Ethyl AcetateHCID 59834489HCID 59834489, compound

Product 1

HCID 59834466HCID 59834466, compound

Sources & evidence

ORD record
ord-dfdbb919459945eba4b5c4eb4064befb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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