Serinol → 1-cyclopentyl-3-(2-fluoro-3,5-dimethoxy-phenyl)-7-(2-hydroxy-1-hydroxymethyl-ethylamino)-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

HRID 1135992Notes

Reaction equation

HRID 1135992 reaction equation
[CH:1]1([N:6]2[C:7](=[O:30])[N:8]([c:19]3[c:20]([F:29])[c:21]([O:27][CH3:28])[cH:22][c:23]([O:25][CH3:26])[cH:24]3)[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.[NH2:31][CH:32]([CH2:33][OH:34])[CH2:35][OH:36]>>[CH:1]1([N:6]2[C:7](=[O:30])[N:8]([c:19]3[c:20]([F:29])[c:21]([O:27][CH3:28])[cH:22][c:23]([O:25][CH3:26])[cH:24]3)[CH2:9][c:10]3[c:11]2[n:12][c:13]([NH:31][CH:32]([CH2:33][OH:34])[CH2:35][OH:36])[n:14][cH:15]3)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

3

Reactant 2

HCID 68294SerinolHCID 184448451-cyclopentyl-3-(2-fluoro-3,5-dimethoxy-phenyl)-7-methanesulfinyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

Product 1

HCID 99817481-cyclopentyl-3-(2-fluoro-3,5-dimethoxy-phenyl)-7-(2-hydroxy-1-hydroxymethyl-ethylamino)-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

Sources & evidence

ORD record
ord-4d2ac5b81ac74da58ea506ecc9bcf319
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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