Acetone → HCID 21963753, compound

HRID 99142

Reaction equation

HRID 99142 reaction equation
[C:17]([O-:18])(=[O:19])[O-:20].[C:23](=[O:24])([OH:25])[O-:26].[CH3:47][C:48](=[O:49])[CH3:50].[CH3:54][C:55]#[N:56].[CH:12]1([Br:16])[CH2:13][CH2:14][CH2:15]1.[Cl:51][CH2:52][Cl:53].[K+:21].[K+:22].[K+:27].[O:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33][O:34][CH2:35][CH2:36][O:37][CH2:38][CH2:39][O:40][CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[OH2:46].[c:1]1([SH:11])[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[c:1]1([S:11]([CH:12]2[CH2:13][CH2:14][CH2:15]2)(=[O:18])=[O:46])[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Participants

11

Reactant 10

HCID 180AcetoneHCID 769Bicarbonate IonHCID 813Potassium Cation3×HCID 962WaterHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 2855718-Crown-6HCID 682591-NaphthalenethiolHCID 78110Bromocyclobutane

Product 1

HCID 21963753HCID 21963753, compound

Sources & evidence

ORD record
ord-0aa2fbeb103044fd979767a9a41f6183
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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