Acetic Acid → 1-(3-((1-Methyl-1H-indazol-5-yl)methyl)imidazo[1,2-b]pyridazin-6-yl)ethanone

반응식

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

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 313Hydrochloric Acid

HCID 581904976-(1-Ethoxy-vinyl)-3-(1-methyl-1H-indazol-5-ylmethyl)-imidazo[1,2-b]pyridazine

생성물 1

HCID 581905161-(3-((1-Methyl-1H-indazol-5-yl)methyl)imidazo[1,2-b]pyridazin-6-yl)ethanone

출처 및 근거

ORD 기록: ord-327ba7bbc4b34b7583a51433614ec629
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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