1-Chloro-3-ethynylbenzene → 5-[4-(3-Chloro-phenylethynyl)-2-methyl-imidazol-1-yl]-2-(2-m ethoxy-ethyl)-2H-pyridazin-3-one

반응식

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

참가 물질

반응물 2

HCID 1230861-Chloro-3-ethynylbenzene

HCID 668651282-(2-methoxy-ethyl)-5-(4-iodo-2-methyl-imidazol-1-yl)-2H-pyridazin-3-one

생성물 1

HCID 498727705-[4-(3-Chloro-phenylethynyl)-2-methyl-imidazol-1-yl]-2-(2-m ethoxy-ethyl)-2H-pyridazin-3-one

출처 및 근거

ORD 기록: ord-ddc5de44b5dc4e35a2288c7738533d92
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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