Allyl Isothiocyanate → N-[2-(6-dimethylaminomethyl-2-benzofuranylmethylthio)ethyl]-N'-(2-propenyl)thiourea

HRID 98592

반응식

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

참가 물질

반응물 3

HCID 5971Allyl Isothiocyanate

HCID 6342Acetonitrile

HCID 203039642-(2-Aminoethylthiomethyl)-6-(dimethylaminomethyl)benzofuran

생성물 1

HCID 20303954N-[2-(6-dimethylaminomethyl-2-benzofuranylmethylthio)ethyl]-N'-(2-propenyl)thiourea

출처 및 근거

ORD 기록: ord-28adff1a0b1343ef87449a13a5ca772e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

연결된 노트

불러오는 중…