Acetone → 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2,2-dimethyl-4-(1H-1,2,4-triazol-1-yl)methyl-1,3-dioxolane

HRID 173259Notes

Reaction equation

HRID 173259 reaction equation
[CH2:61]([Cl:62])[Cl:63].[CH3:26][O:27][C:28]([CH3:29])([CH3:30])[O:31][CH3:32].[CH3:49][C:50](=[O:51])[CH3:52].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[Cl-:58].[Cl-:60].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH:9]([OH:10])[c:11]2[c:12]([Cl:18])[cH:13][c:14]([Cl:17])[cH:15][cH:16]2)([CH2:19][n:20]2[n:21][cH:22][n:23][cH:24]2)[OH:25])[cH:6][cH:7]1.[Na+:44].[OH:45][C:46](=[O:47])[O-:48].[Zn+2:59].[c:33]1([CH3:34])[cH:35][cH:36][c:37]([S:38]([OH:39])(=[O:40])=[O:41])[cH:42][cH:43]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH2:19][n:20]3[n:21][cH:22][n:23][cH:24]3)[CH:9]([c:11]3[c:12]([Cl:18])[cH:13][c:14]([Cl:17])[cH:15][cH:16]3)[O:10][C:28]([CH3:29])([CH3:30])[O:25]2)[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 180AcetoneHCID 312Chloride2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6101p-Toluenesulfonic acidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 64952,2-DimethoxypropaneHCID 32051Zinc(2+)HCID 202350372-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)-1,2-propanediol

Product 1

HCID 137270184-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2,2-dimethyl-4-(1H-1,2,4-triazol-1-yl)methyl-1,3-dioxolane

Sources & evidence

ORD record
ord-4eaa516bc79a494693665c8c56930999
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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