Ethanol → 2,6-Dihydro-2-methyl-6-(1-naphthalenylmethyl)-4-(2-propyl)amino-1H-pyrrolo[3,4-d]pyridazin-1-one

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 6363Isopropylamine

HCID 235032554-Chloro-2,6-dihydro-2-methyl-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyridazin-1-one

생성물 1

HCID 235032472,6-Dihydro-2-methyl-6-(1-naphthalenylmethyl)-4-(2-propyl)amino-1H-pyrrolo[3,4-d]pyridazin-1-one

출처 및 근거

ORD 기록: ord-fc8d212c0a114bd9a3ed9e914b076127
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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