Acetone → HCID 2085532, compound

HRID 1210933Notes

Reaction equation

HRID 1210933 reaction equation
[CH3:13][c:14]1[cH:15][c:16]([Cl:17])[cH:18][cH:19][c:20]1[OH:21].[CH3:28][C:29]#[N:30].[CH3:32][C:33](=[O:34])[CH3:35].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([N+:10](=[O:11])[O-:12])[cH:8][cH:9]1.[K+:22].[K+:23].[O-:24][C:25]([O-:26])=[O:27].[OH2:31]>>[c:2]1([O:21][c:20]2[c:14]([CH3:13])[cH:15][c:16]([Cl:17])[cH:18][cH:19]2)[c:3]([C:4]#[N:5])[cH:6][c:7]([N+:10](=[O:11])[O-:12])[cH:8][cH:9]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 148554-Chloro-2-methylphenolHCID 19660Carbonate IonHCID 855042-Chloro-5-nitrobenzonitrile

Product 1

HCID 2085532HCID 2085532, compound

Sources & evidence

ORD record
ord-dab66d05ffc44d02952e2cd64fd47ff1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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