Acetone → HCID 57813664, 화합물

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

참가 물질

반응물 3

HCID 180Acetone

HCID 68284Benzoyl isothiocyanate

HCID 57813693HCID 57813693, 화합물

생성물 1

HCID 57813664HCID 57813664, 화합물

출처 및 근거

ORD 기록: ord-ce42a9e9b5cf4b8c8273c99e9add8faf
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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