1H-Imidazole-1-propanamine → 2-(3-Imidazol-1-yl-propylamino)-8-indan-5-yl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester

반응식

[CH2:10]([CH3:11])[O:12][C:13](=[O:14])[c:15]1[c:16](=[O:38])[c:17]2[c:18]([n:19][c:20]([S:23]([CH3:24])(=[O:25])=[O:26])[n:21][cH:22]2)[n:27](-[c:29]2[cH:30][c:31]3[c:35]([cH:36][cH:37]2)[CH2:34][CH2:33][CH2:32]3)[cH:28]1.[n:1]1([CH2:6][CH2:7][CH2:8][NH2:9])[cH:2][n:3][cH:4][cH:5]1>>[n:1]1([CH2:6][CH2:7][CH2:8][NH:9][c:20]2[n:19][c:18]3[c:17]([c:16](=[O:38])[c:15]([C:13]([O:12][CH2:10][CH3:11])=[O:14])[cH:28][n:27]3-[c:29]3[cH:30][c:31]4[c:35]([cH:36][cH:37]3)[CH2:34][CH2:33][CH2:32]4)[cH:22][n:21]2)[cH:2][n:3][cH:4][cH:5]1

참가 물질

반응물 2

HCID 787361H-Imidazole-1-propanamine

HCID 252229828-Indan-5-yl-2-methanesulfonyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester

생성물 1

HCID 685831992-(3-Imidazol-1-yl-propylamino)-8-indan-5-yl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester

출처 및 근거

ORD 기록: ord-449bd36fc87f4ad6a5805108fd05348f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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