1,4-Dioxane → 1-Cyclopentyl-7-(4-diethylamino-butylamino)-3-(2,6-difluoro-3,5-dimethoxy-phenyl)-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

HRID 1553980Notes

Reaction equation

HRID 1553980 reaction equation
[CH2:32]([CH3:33])[N:34]([CH2:35][CH2:36][CH2:37][CH2:38][NH2:39])[CH2:40][CH3:41].[CH:1]1([N:6]2[C:7](=[O:31])[N:8]([c:19]3[c:20]([F:30])[c:21]([O:28][CH3:29])[cH:22][c:23]([O:26][CH3:27])[c:24]3[F:25])[CH2:9][c:10]3[c:11]2[n:12][c:13]([S:16]([CH3:17])=[O:18])[n:14][cH:15]3)[CH2:2][CH2:3][CH2:4][CH2:5]1.[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1>>[CH:1]1([N:6]2[C:7](=[O:31])[N:8]([c:19]3[c:20]([F:30])[c:21]([O:28][CH3:29])[cH:22][c:23]([O:26][CH3:27])[c:24]3[F:25])[CH2:9][c:10]3[c:11]2[n:12][c:13]([NH:39][CH2:38][CH2:37][CH2:36][CH2:35][N:34]([CH2:32][CH3:33])[CH2:40][CH3:41])[n:14][cH:15]3)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 117976N,N-Diethyl-1,4-butanediamineHCID 184448441-Cyclopentyl-3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(methylsulfinyl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

Product 1

HCID 103697821-Cyclopentyl-7-(4-diethylamino-butylamino)-3-(2,6-difluoro-3,5-dimethoxy-phenyl)-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

Sources & evidence

ORD record
ord-1c01e46b96504e2f9465dff5dac96c49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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