Dimethylformamide → 3-(1-(2-(3-Isopentyl-4-oxo-2-phenylthiazolidin-5-yl)propanoyl)piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one

HRID 313171Notes

Reaction equation

HRID 313171 reaction equation
[CH2:1]([CH2:2][CH:3]([CH3:4])[CH3:5])[N:6]1[CH:7]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[S:8][CH:9]([CH:12]([C:13](=[O:14])[OH:15])[CH3:16])[C:10]1=[O:11].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[F:40][C:41]([F:42])([F:43])[C:44]([OH:45])=[O:46].[NH:23]1[CH2:24][CH2:25][CH:26]([N:29]2[C:30](=[O:39])[NH:31][c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]3[CH2:38]2)[CH2:27][CH2:28]1.[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[P-:56]([F:57])([F:58])([F:59])([F:60])([F:61])[F:62].[n:63]1([O:64][C:65]([N:66]([CH3:67])[CH3:68])=[N+:69]([CH3:70])[CH3:71])[c:72]2[n:73][cH:74][cH:75][cH:76][c:77]2[n:78][n:79]1>>[CH2:1]([CH2:2][CH:3]([CH3:4])[CH3:5])[N:6]1[CH:7]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[S:8][CH:9]([CH:12]([C:13](=[O:14])[N:23]2[CH2:24][CH2:25][CH:26]([N:29]3[C:30](=[O:39])[NH:31][c:32]4[cH:33][cH:34][cH:35][cH:36][c:37]4[CH2:38]3)[CH2:27][CH2:28]2)[CH3:16])[C:10]1=[O:11]

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 110425973-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-oneHCID 595549512-(3-Isopentyl-4-oxo-2-phenylthiazolidin-5-yl)propanoic acid

Product 1

HCID 595549023-(1-(2-(3-Isopentyl-4-oxo-2-phenylthiazolidin-5-yl)propanoyl)piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one

Sources & evidence

ORD record
ord-a3e41a58b79a4648aa722333d6a35a88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…