Acetone → HCID 22025291, compound

HRID 1214694Notes

Reaction equation

HRID 1214694 reaction equation
[C:42](=[O:43])([OH:44])[O-:45].[CH3:47][C:48](=[O:49])[CH3:50].[Cl:1][c:2]1[cH:3][c:4]([N:9]2[C:10](=[O:28])[N:11]([CH3:27])[C:12]3([C:13]2=[O:14])[CH2:15][NH:16][CH2:17][CH:18]3[c:19]2[cH:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]2)[cH:5][c:6]([Cl:8])[cH:7]1.[Cl:29][S:30](=[O:31])(=[O:32])[c:33]1[cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40][cH:41]1.[Na+:46].[OH2:51]>>[Cl:1][c:2]1[cH:3][c:4]([N:9]2[C:10](=[O:28])[N:11]([CH3:27])[C:12]3([C:13]2=[O:14])[CH2:15][N:16]([S:30](=[O:31])(=[O:32])[c:33]2[cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40][cH:41]2)[CH2:17][CH:18]3[c:19]2[cH:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]2)[cH:5][c:6]([Cl:8])[cH:7]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 77641Benzoic acid, 3-(chlorosulfonyl)-HCID 220252984-[3-(3,5-Dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-9-yl]benzonitrile

Product 1

HCID 22025291HCID 22025291, compound

Sources & evidence

ORD record
ord-6c7f1a89b4254ec296cde53649cf1628
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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