Pyridine → 3-(4-ethylphenyl)-7-(4-fluoroanilino)-1-(3-hydroxycyclopentyl)-4H-pyrimido[4,5-d]pyrimidin-2-one

HRID 1124399Notes

Reaction equation

HRID 1124399 reaction equation
[C:1]([Si:2]([CH3:3])([CH3:4])[O:6][CH:7]1[CH2:8][CH:9]([N:12]2[C:13](=[O:38])[N:14]([c:30]3[cH:31][cH:32][c:33]([CH2:36][CH3:37])[cH:34][cH:35]3)[CH2:15][c:16]3[c:17]2[n:18][c:19]([NH:22][c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[n:20][cH:21]3)[CH2:10][CH2:11]1)([CH3:5])([CH3:39])[CH3:40].[FH:47].[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1.[n:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[OH:6][CH:7]1[CH2:8][CH:9]([N:12]2[C:13](=[O:38])[N:14]([c:30]3[cH:31][cH:32][c:33]([CH2:36][CH3:37])[cH:34][cH:35]3)[CH2:15][c:16]3[c:17]2[n:18][c:19]([NH:22][c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[n:20][cH:21]3)[CH2:10][CH2:11]1

Participants

4

Reactant 3

HCID 1049Pyridine2×HCID 14917Hydrofluoric AcidHCID 219393331-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-3-(4-ethylphenyl)-7-(4-fluoroanilino)-4H-pyrimido[4,5-d]pyrimidin-2-one

Product 1

HCID 219393313-(4-ethylphenyl)-7-(4-fluoroanilino)-1-(3-hydroxycyclopentyl)-4H-pyrimido[4,5-d]pyrimidin-2-one

Sources & evidence

ORD record
ord-d68dbe0e77eb4ed3be5d84e7237a8f47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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