Ethyl Acetate → 1-(4-t-butylbenzyl)-3-(1-methyl-1H-pyrrol-2-yl)methylthiourea

HRID 205327

반응식

HRID 205327 반응식
[C:9]([CH3:10])([CH3:11])([CH3:12])[c:13]1[cH:14][cH:15][c:16]([CH2:17][N:18]=[C:19]=[S:20])[cH:21][cH:22]1.[CH3:1][n:2]1[c:3]([CH2:7][NH2:8])[cH:4][cH:5][cH:6]1.[CH3:23][CH2:24][O:25][C:26](=[O:27])[CH3:28]>>[CH3:1][n:2]1[c:3]([CH2:7][NH:8][C:19]([NH:18][CH2:17][c:16]2[cH:15][cH:14][c:13]([C:9]([CH3:10])([CH3:11])[CH3:12])[cH:22][cH:21]2)=[S:20])[cH:4][cH:5][cH:6]1

참가 물질

4

반응물 3

HCID 8857Ethyl AcetateHCID 2776207(1-methyl-1H-pyrrol-2-yl)methanamineHCID 148010411-Tert-butyl-4-(isothiocyanatomethyl)benzene

생성물 1

HCID 590880651-(4-t-butylbenzyl)-3-(1-methyl-1H-pyrrol-2-yl)methylthiourea

출처 및 근거

ORD 기록
ord-8e7fbd9be43c4926bf75cfdc88893f10
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

불러오는 중…