Water → 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-5-(hydroxymethyl)pyrrolidin-3-ol

HRID 2326469Notes

Reaction equation

HRID 2326469 reaction equation
[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([N:8]3[CH2:9][CH2:10][N:11]([c:14]4[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]4)[CH2:12][CH2:13]3)[n:7]1)[CH2:21][CH2:22][S:23]2=[O:24].[Cl:56][CH2:57][Cl:58].[F:25][C:26]([F:27])([F:28])[C:29]([OH:30])=[O:31].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH2:49].[OH:32][CH2:33][CH:34]1[CH2:35][CH:36]([OH:39])[CH2:37][NH:38]1>>[c:2]1([N:38]2[CH:34]([CH2:33][OH:32])[CH2:35][CH:36]([OH:39])[CH2:37]2)[c:3]2[c:4]([n:5][c:6]([N:8]3[CH2:9][CH2:10][N:11]([c:14]4[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]4)[CH2:12][CH2:13]3)[n:7]1)[CH2:21][CH2:22][S:23]2=[O:24]

Participants

8

Reactant 7

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 167672815-(Hydroxymethyl)pyrrolidin-3-olHCID 594758954-Chloro-2-[4-(4-chloro-phenyl)-piperazin-1-yl]-6,7-dihydro-thieno[3,2-d]pyrimidine 5-oxide

Product 1

HCID 1785271111-[2-[4-(4-chlorophenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-5-(hydroxymethyl)pyrrolidin-3-ol

Sources & evidence

ORD record
ord-a34bd46363a740538271acfecce59cb7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…