Chloroform → 1-Cyclopentyl-7-[4-(piperidin-1-yl)phenylamino]-3,4-dihydro-pyrimido[4,5-d]pyrimidin-2(1H)-one

HRID 98217

Reaction equation

HRID 98217 reaction equation
[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH:14]1([N:19]2[C:20](=[O:32])[NH:21][CH2:22][c:23]3[c:24]2[n:25][c:26]([S:29]([CH3:30])=[O:31])[n:27][cH:28]3)[CH2:15][CH2:16][CH2:17][CH2:18]1.[CH:54]([Cl:55])([Cl:56])[Cl:57].[NH2:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[O:33]=[S:34](=[O:35])([OH:36])[CH2:37][C:38]12[CH2:39][CH2:40][CH:41]([C:42]1([CH3:43])[CH3:44])[CH2:45][C:46]2=[O:47].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[cH:6][cH:7]1)[c:26]1[n:25][c:24]2[c:23]([cH:28][n:27]1)[CH2:22][NH:21][C:20](=[O:32])[N:19]2[CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18]1

Participants

7

Reactant 6

HCID 6212ChloroformHCID 8857Ethyl AcetateHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 312751,4-DioxaneHCID 4135014-(Piperidin-1-yl)anilineHCID 688593421-cyclopentyl-7-methanesulfinyl-3,4-dihydro-pyrimido[4,5-d]pyrimidin-2(1H)-one

Product 1

HCID 688602801-Cyclopentyl-7-[4-(piperidin-1-yl)phenylamino]-3,4-dihydro-pyrimido[4,5-d]pyrimidin-2(1H)-one

Sources & evidence

ORD record
ord-4aee53f530b04ced8121bdd711a00218
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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