Acetone → Hydrochloric Acid

HRID 150324Notes

Reaction equation

HRID 150324 reaction equation
[CH2:37]([Cl:38])[Cl:39].[CH3:34][CH2:35][OH:36].[CH3:44][C:45](=[O:46])[CH3:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH:40]([OH:41])([CH3:42])[CH3:43].[ClH:33].[H:22][H:23].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][CH2:12][CH2:13][N-:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:8][cH:9]1.[Na+:25].[Na+:26].[Na+:27].[O-:28][S:29](=[O:30])(=[O:31])[O-:32].[OH-:24]>>[ClH:33].[NH2:1][c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][CH2:12][CH2:13][N-:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:8][cH:9]1

Participants

13

Reactant 11

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ion3×HCID 961HydroxideHCID 1117Sulfate IonHCID 3776IsopropanolHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 178418361HCID 178418361, compoundHCID 178526620HCID 178526620, compound

Product 2

HCID 313Hydrochloric AcidHCID 178507557HCID 178507557, compound

Sources & evidence

ORD record
ord-6973bcdcfba84e2a996dbf1a31c9e71f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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