Dimethylamine → (+/-)-3-[7-[3-(2-dimethylamino-ethyl)-phenylamino]-3-(4-methoxy-phenyl)-4-methyl-2-oxo-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl]-benzonitrile

HRID 286293Notes

Reaction equation

HRID 286293 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([N:9]2[C:10](=[O:42])[N:11]([c:34]3[cH:35][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]3)[CH:12]([CH3:33])[c:13]3[c:14]2[n:15][c:16]([NH:19][c:20]2[cH:21][c:22]([CH2:26][CH2:27][O:28][S:29]([CH3:30])(=[O:31])=[O:32])[cH:23][cH:24][cH:25]2)[n:17][cH:18]3)[cH:6][cH:7][cH:8]1.[CH3:43][NH:44][CH3:45]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([N:9]2[C:10](=[O:42])[N:11]([c:34]3[cH:35][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]3)[CH:12]([CH3:33])[c:13]3[c:14]2[n:15][c:16]([NH:19][c:20]2[cH:21][c:22]([CH2:26][CH2:27][N:44]([CH3:43])[CH3:45])[cH:23][cH:24][cH:25]2)[n:17][cH:18]3)[cH:6][cH:7][cH:8]1

Participants

3

Reactant 2

HCID 674DimethylamineHCID 10325979(+/-)-Methanesulfonic acid (2-{3-[8-(3-cyano-phenyl)-6-(4-methoxy-phenyl)-5-methyl-7-oxo-5,6,7,8-tetrahydro-pyrimido[4,5-d]pyrimidin-2-ylamino]-phenyl}-ethyl)-ester

Product 1

HCID 10052823(+/-)-3-[7-[3-(2-dimethylamino-ethyl)-phenylamino]-3-(4-methoxy-phenyl)-4-methyl-2-oxo-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl]-benzonitrile

Sources & evidence

ORD record
ord-9191c61f18e041bfb0f39b388bf36b41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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