Water → N-{4-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-2-methoxyphenyl}-4-methylbenzenesulfonamide

HRID 156962Notes

Reaction equation

HRID 156962 reaction equation
[NH2:7][c:8]1[c:9]([O:31][CH3:32])[cH:10][c:11](-[n:14]2[cH:15][n:16][c:17]3[c:18]([c:19]2=[O:20])[s:21][c:22](-[c:24]2[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]2)[cH:23]3)[cH:12][cH:13]1.[OH2:44].[c:33]1([CH3:43])[cH:34][cH:35][c:36]([S:39](=[O:40])(=[O:41])[Cl:42])[cH:37][cH:38]1.[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1>>[NH:7]([c:8]1[c:9]([O:31][CH3:32])[cH:10][c:11](-[n:14]2[cH:15][n:16][c:17]3[c:18]([c:19]2=[O:20])[s:21][c:22](-[c:24]2[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]2)[cH:23]3)[cH:12][cH:13]1)[S:39]([c:36]1[cH:35][cH:34][c:33]([CH3:43])[cH:38][cH:37]1)(=[O:40])=[O:41]

Participants

5

Reactant 4

HCID 962WaterHCID 1049PyridineHCID 73974-Toluenesulfonyl chlorideHCID 589808433-(4-Amino-3-methoxyphenyl)-6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4(3H)-one

Product 1

HCID 58980855N-{4-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-2-methoxyphenyl}-4-methylbenzenesulfonamide

Sources & evidence

ORD record
ord-bafa63c124784df9bdc0e1fe4058c40f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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