N-Isopropylpropane-1,3-diamine → 3-[8-(2,6-difluorophenyl)-2-({3-[(1-methylethyl)amino]propyl]amino)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl}-N-(4-fluorophenyl)-4-methylbenzamide

HRID 1209702Notes

Reaction equation

HRID 1209702 reaction equation
[CH3:40][CH:41]([CH3:42])[NH:43][CH2:44][CH2:45][CH2:46][NH2:47].[F:1][c:2]1[c:3]([N:9]2[C:10](=[O:39])[NH:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([S:36]([CH3:37])=[O:38])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:24][c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[cH:32][cH:33][c:34]2[CH3:35])[c:4]([F:8])[cH:5][cH:6][cH:7]1>>[F:1][c:2]1[c:3]([N:9]2[C:10](=[O:39])[NH:11][CH2:12][c:13]3[c:14]2[n:15][c:16]([NH:47][CH2:46][CH2:45][CH2:44][NH:43][CH:41]([CH3:40])[CH3:42])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:24][c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[cH:32][cH:33][c:34]2[CH3:35])[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

3

Reactant 2

HCID 76888N-Isopropylpropane-1,3-diamineHCID 119500953-[8-(2,6-difluorophenyl)-2-(methylsulfinyl)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-N-(4-fluorophenyl)-4-methylbenzamide

Product 1

HCID 247854693-[8-(2,6-difluorophenyl)-2-({3-[(1-methylethyl)amino]propyl]amino)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl}-N-(4-fluorophenyl)-4-methylbenzamide

Sources & evidence

ORD record
ord-f07ecd3bd9274013b8fbaebc4d79d98e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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