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

HRID 1233016

Reaction equation

HRID 1233016 reaction equation
[CH3:40][C:41]([CH3:42])([CH3:43])[NH:44][CH2:45][CH2:46][CH2:47][NH2:48].[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:48][CH2:47][CH2:46][CH2:45][NH:44][C:41]([CH3:40])([CH3:42])[CH3:43])[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 40274N-(1,1-Dimethylethyl)-1,3-propanediamineHCID 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 247854703-[8-(2,6-difluorophenyl)-2-({3-[(1,1-dimethylethyl)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-ef6c8bf0c9a9451092d9416b95c10775
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

Loading…