Methanol → 3-[3-(N-Boc-aminomethyl)-phenylamino]-2-cyano-3-methylmercapto-acrylonitrile

반응식

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

참가 물질

반응물 3

HCID 887Methanol

HCID 992292-(Bis(methylsulfanyl)methylidene)propanedinitrile

HCID 10775412tert-butyl N-((3-aminophenyl)methyl)carbamate

생성물 1

HCID 211906203-[3-(N-Boc-aminomethyl)-phenylamino]-2-cyano-3-methylmercapto-acrylonitrile

출처 및 근거

ORD 기록: ord-001e4147b23e4012b1bd3426835bf7e1
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…