Allyl Isothiocyanate → 1-Allyl-3-[4-(5-bromo-4-prop-2-ynylamino-pyrimidin-2-ylamino)-phenyl]-thiourea

반응식

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

참가 물질

반응물 3

HCID 5971Allyl Isothiocyanate

HCID 6342Acetonitrile

HCID 57593369N2-(4-Amino-phenyl)-5-bromo-N4-prop-2-ynyl-pyrimidine-2,4-diamine

생성물 1

HCID 575935531-Allyl-3-[4-(5-bromo-4-prop-2-ynylamino-pyrimidin-2-ylamino)-phenyl]-thiourea

출처 및 근거

ORD 기록: ord-02b15445025b4ef789067109d41bcf6f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…