Hydrochloric Acid → 6-{[4-(3-Chlorophenyl)piperazino]carbonyl}-5-methylthieno[2,3-D]pyrimidin-4(3H)-one

HRID 283725Notes

Reaction equation

HRID 283725 reaction equation
[CH3:1][c:2]1[c:3]([C:12](=[O:13])[OH:14])[s:4][c:5]2[n:6][cH:7][nH:8][c:9](=[O:11])[c:10]12.[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[CH:15]([N:16]([CH2:17][CH3:18])[CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23].[Cl:25][c:26]1[cH:27][c:28]([N:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:29][cH:30][cH:31]1.[ClH:24].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[CH3:1][c:2]1[c:3]([C:12](=[O:14])[N:35]2[CH2:34][CH2:33][N:32]([c:28]3[cH:27][c:26]([Cl:25])[cH:31][cH:30][cH:29]3)[CH2:37][CH2:36]2)[s:4][c:5]2[n:6][cH:7][nH:8][c:9](=[O:11])[c:10]12

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 13551-(3-Chlorophenyl)piperazineHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4058025-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

Product 1

HCID 41967806-{[4-(3-Chlorophenyl)piperazino]carbonyl}-5-methylthieno[2,3-D]pyrimidin-4(3H)-one

Sources & evidence

ORD record
ord-84c3f430e6cb4c4d98f7804b40e3d41e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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