Benzoyl isothiocyanate → [3-(3-Benzoyl-thioureido)-pyrazol-1-yl]-acetic acid tert-butyl ester

반응식

[C:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)(=[O:22])[N:23]=[C:24]=[S:25].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[n:9][c:10]([NH2:13])[cH:11][cH:12]1)=[O:14]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[n:9][c:10]([NH:13][C:24]([NH:23][C:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[O:22])=[S:25])[cH:11][cH:12]1)=[O:14]

참가 물질

반응물 2

HCID 68284Benzoyl isothiocyanate

HCID 62111572tert-butyl 2-(3-amino-1H-pyrazol-1-yl)acetate

생성물 1

HCID 86653059[3-(3-Benzoyl-thioureido)-pyrazol-1-yl]-acetic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-6623057dc3ff4121b19fa0e777f5ca7f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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