Methyl isothiocyanate → HCID 21330758, 화합물

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

참가 물질

반응물 3

HCID 11167Methyl isothiocyanate

HCID 312751,4-Dioxane

HCID 2564674-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

생성물 1

HCID 21330758HCID 21330758, 화합물

출처 및 근거

ORD 기록: ord-60d0895e39d94b36a97ef0daa29d6718
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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