1,4-Diaminobutane-2,3-diol → 7-(4-Amino-2,3-dihydroxy-butylamino)-3-(2,6-difluoro-3,5-dimethoxy-phenyl)-1-ethyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

HRID 144791Notes

Reaction equation

HRID 144791 reaction equation
[F:1][c:2]1[c:3]([N:13]2[C:14](=[O:28])[N:15]([CH2:26][CH3:27])[c:16]3[n:17][c:18]([S:23]([CH3:24])=[O:25])[n:19][cH:20][c:21]3[CH2:22]2)[c:4]([F:12])[c:5]([O:10][CH3:11])[cH:6][c:7]1[O:8][CH3:9].[NH2:29][CH2:30][CH:31]([CH:32]([CH2:33][NH2:34])[OH:35])[OH:36]>>[F:1][c:2]1[c:3]([N:13]2[C:14](=[O:28])[N:15]([CH2:26][CH3:27])[c:16]3[n:17][c:18]([NH:34][CH2:33][CH:32]([CH:31]([CH2:30][NH2:29])[OH:36])[OH:35])[n:19][cH:20][c:21]3[CH2:22]2)[c:4]([F:12])[c:5]([O:10][CH3:11])[cH:6][c:7]1[O:8][CH3:9]

Participants

3

Reactant 2

HCID 41408581,4-Diaminobutane-2,3-diolHCID 184447943-(2,6-Difluoro-3,5-dimethoxy-phenyl)-1-ethyl-7-methylsulfinyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

Product 1

HCID 100048217-(4-Amino-2,3-dihydroxy-butylamino)-3-(2,6-difluoro-3,5-dimethoxy-phenyl)-1-ethyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

Sources & evidence

ORD record
ord-6263c17939874d0cb31fd2c6a8429ee9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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