4-(4-Methylpiperazin-1-yl)butan-1-amine → 3-(3,5-Dimethoxy-phenyl)-7-[4-(4-methyl-piperazin-1-yl)-butylamino]-3,4-dihydro-pyrimido[4,5-d]pyrimidin-2(1H)-one

HRID 96292

반응식

HRID 96292 반응식
[CH3:1][O:2][c:3]1[cH:4][c:5]([N:11]2[C:12](=[O:24])[NH:13][c:14]3[n:15][c:16]([S:21]([CH3:22])=[O:23])[n:17][cH:18][c:19]3[CH2:20]2)[cH:6][c:7]([O:9][CH3:10])[cH:8]1.[CH3:25][N:26]1[CH2:27][CH2:28][N:29]([CH2:32][CH2:33][CH2:34][CH2:35][NH2:36])[CH2:30][CH2:31]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([N:11]2[C:12](=[O:24])[NH:13][c:14]3[n:15][c:16]([NH:36][CH2:35][CH2:34][CH2:33][CH2:32][N:29]4[CH2:28][CH2:27][N:26]([CH3:25])[CH2:31][CH2:30]4)[n:17][cH:18][c:19]3[CH2:20]2)[cH:6][c:7]([O:9][CH3:10])[cH:8]1

참가 물질

3

반응물 2

HCID 64841924-(4-Methylpiperazin-1-yl)butan-1-amineHCID 570581323-(3,5-dimethoxy-phenyl)-7-methanesulfinyl-3,4-dihydro-pyrimido[4,5-d]pyrimidin-2(1H)-one

생성물 1

HCID 688610353-(3,5-Dimethoxy-phenyl)-7-[4-(4-methyl-piperazin-1-yl)-butylamino]-3,4-dihydro-pyrimido[4,5-d]pyrimidin-2(1H)-one

출처 및 근거

ORD 기록
ord-05844a3aae2840f99a43f791ea4f4f26
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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