1,2-Dichloroethane → 5,7-dimethyl-N-(2-acetoxymethyl-6-chlorophenyl)-1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamide

HRID 2131758Notes

Reaction equation

HRID 2131758 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7]([NH2:13])[c:8]([Cl:12])[cH:9][cH:10][cH:11]1.[CH2:42]([Cl:43])[CH2:44][Cl:45].[CH3:20][c:21]1[n:22][c:23]2[n:24]([c:25]([CH3:27])[cH:26]1)[n:28][c:29]([S:31](=[O:32])(=[O:33])[Cl:34])[n:30]2.[CH3:46][C:47]#[N:48].[Na+:41].[OH-:40].[S:35]([Cl:36])([Cl:37])(=[O:38])=[O:39].[cH:14]1[cH:15][cH:16][n:17][cH:18][cH:19]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7]([NH:13][S:31]([c:29]2[n:28][n:24]3[c:23]([n:22][c:21]([CH3:20])[cH:26][c:25]3[CH3:27])[n:30]2)(=[O:32])=[O:33])[c:8]([Cl:12])[cH:9][cH:10][cH:11]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 923Sodium ionHCID 961HydroxideHCID 1049PyridineHCID 6342AcetonitrileHCID 24648Sulfuryl chlorideHCID 6112325,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chlorideHCID 141554092-Acetoxymethyl-6-chloroaniline

Product 1

HCID 141552035,7-dimethyl-N-(2-acetoxymethyl-6-chlorophenyl)-1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamide

Sources & evidence

ORD record
ord-dec6102923414934a9e8611ad62e2aa9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…