Dimethylformamide → 6-(4-(2-fluorophenyl)piperazine-1-carbonyl)-5-methylthieno[2,3-d]pyrimidin-4(3H)-one

HRID 2153071Notes

Reaction equation

HRID 2153071 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.[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[CH:15]([N:16]([CH2:17][CH3:18])[CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23].[F:24][c:25]1[c:26]([N:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[cH:27][cH:28][cH:29][cH:30]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[CH3:1][c:2]1[c:3]([C:12](=[O:14])[N:34]2[CH2:33][CH2:32][N:31]([c:26]3[c:25]([F:24])[cH:30][cH:29][cH:28][cH:27]3)[CH2:36][CH2:35]2)[s:4][c:5]2[n:6][cH:7][nH:8][c:9](=[O:11])[c:10]12

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 705291-(2-Fluorophenyl)piperazineHCID 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 160032576-(4-(2-fluorophenyl)piperazine-1-carbonyl)-5-methylthieno[2,3-d]pyrimidin-4(3H)-one

Sources & evidence

ORD record
ord-33c1208c3bc0489b852272ee987e8a4f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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