Acetone → HCID 178485803, compound

HRID 92671

Reaction equation

HRID 92671 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[C:6]([OH:31])=[C:7]([C:19]2=[N:20][S:21](=[O:29])(=[O:30])[c:22]3[c:23]2[cH:24][cH:25][cH:26][c:27]3[OH:28])[C:8](=[O:18])[N:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1.[CH3:44][C:45](=[O:46])[CH3:47].[Cl:32][CH2:33][C:34](=[O:35])[NH:36][CH3:37].[K+:38].[K+:39].[O-:40][C:41]([O-:42])=[O:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[C:6]([OH:31])=[C:7]([C:19]2=[N:20][S:21](=[O:29])(=[O:30])[c:22]3[c:23]2[cH:24][cH:25][cH:26][c:27]3[O:28][CH2:33][C:34](=[O:35])[NH:36][CH3:37])[C:8](=[O:18])[N:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 667732-chloro-N-methylacetamideHCID 1364008752-tert-butyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-4-(7-hydroxy-1,1-dioxo-1,2-benzothiazol-3-yl)-2H-pyrrol-5-one

Product 1

HCID 178485803HCID 178485803, compound

Sources & evidence

ORD record
ord-2787211703ed4e57a9fcde126ea00474
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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