Ethanol → 3-(4-{2-[4-chloro(methyl)anilino]ethoxy}-3-methoxyphenyl)-6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4(3H)-one

HRID 696210Notes

Reaction equation

HRID 696210 reaction equation
[C:49](=[O:50])([O-:51])[O-:52].[CH2:55]([OH:56])[CH3:57].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]3[n:11][cH:12][n:13](-[c:18]4[cH:19][c:20]([O:25][CH3:26])[c:21]([OH:24])[cH:22][cH:23]4)[c:14](=[O:17])[c:15]3[s:16]2)[cH:6][cH:7]1.[Cs+:53].[Cs+:54].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:58].[c:27]1([CH3:28])[cH:29][cH:30][c:31]([S:32]([O:33][CH2:37][CH2:38][N:39]([c:40]2[cH:41][cH:42][c:43]([Cl:46])[cH:44][cH:45]2)[CH3:47])(=[O:34])=[O:35])[cH:36][cH:48]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]3[n:11][cH:12][n:13](-[c:18]4[cH:19][c:20]([O:25][CH3:26])[c:21]([O:24][CH2:37][CH2:38][N:39]([c:40]5[cH:41][cH:42][c:43]([Cl:46])[cH:44][cH:45]5)[CH3:47])[cH:22][cH:23]4)[c:14](=[O:17])[c:15]3[s:16]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 702EthanolHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 589808956-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4(3H)-oneHCID 865948952-[4-Chloro(methyl)anilino]ethyl p-toluenesulfonate

Product 1

HCID 589808793-(4-{2-[4-chloro(methyl)anilino]ethoxy}-3-methoxyphenyl)-6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4(3H)-one

Sources & evidence

ORD record
ord-cf2b9f9235d7444a8a740fb203e3847b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…