1H-Imidazole-1-propanamine → N-(3-imidazol-1-ylpropyl)-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-amine

반응식

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

참가 물질

반응물 2

HCID 787361H-Imidazole-1-propanamine

HCID 220039033-(6-Chloro-2-methyl-5-nitropyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine

생성물 1

HCID 22003911N-(3-imidazol-1-ylpropyl)-2-methyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-amine

출처 및 근거

ORD 기록: ord-ac9f4093b3a14d8fadaa7d4210a905e0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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