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

HRID 205097Notes

Reaction equation

HRID 205097 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][N:44]1[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1.[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55]>>[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:47]4[CH2:46][CH2:45][N:44]([CH3:43])[CH2:49][CH2:48]4)[cH:23][cH:24][cH:25]2)[n:17][cH:18]3)[cH:6][cH:7][cH:8]1

Participants

4

Reactant 3

HCID 8857Ethyl AcetateHCID 531671-MethylpiperazineHCID 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 10031292(+/-)-3-(3-(4-methoxy-phenyl)-4-methyl-7-{3-[2-(4-methyl-piperazin-1-yl)-ethyl]-phenylamino}-2-oxo-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl)-benzonitrile

Sources & evidence

ORD record
ord-0b77944f07a4481da79fe73e0347d25f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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