N-(4-Pyridylmethyl)ethylenediamine → 3-(3,5-Dimethoxy-phenyl)-1-ethyl-7-{2-[(pyridin-4-ylmethyl)-amino]-ethylamino}-3,4-dihydro-pyrimido[4,5-d]pyrimidin-2(1H)-one

반응식

[CH3:1][O:2][c:3]1[cH:4][c:5]([N:11]2[C:12](=[O:26])[N:13]([CH2:24][CH3:25])[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.[cH:27]1[cH:28][c:29]([CH2:33][NH:34][CH2:35][CH2:36][NH2:37])[cH:30][cH:31][n:32]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([N:11]2[C:12](=[O:26])[N:13]([CH2:24][CH3:25])[c:14]3[n:15][c:16]([NH:37][CH2:36][CH2:35][NH:34][CH2:33][c:29]4[cH:28][cH:27][n:32][cH:31][cH: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

반응물 2

HCID 81575N-(4-Pyridylmethyl)ethylenediamine

HCID 68858127HCID 68858127, 화합물

생성물 1

HCID 688615723-(3,5-Dimethoxy-phenyl)-1-ethyl-7-{2-[(pyridin-4-ylmethyl)-amino]-ethylamino}-3,4-dihydro-pyrimido[4,5-d]pyrimidin-2(1H)-one

출처 및 근거

ORD 기록: ord-348f409dd283427187ddda2b621c0dca
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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