Toluene → N-Ethyl-N'-(8-methyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-g]indol-2-yl)urea

반응식

[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[Cl:19][C:20]1=[C:31]([Cl:32])[C:29](=[O:30])[C:26]([C:27]#[N:28])=[C:23]([C:24]#[N:25])[C:21]1=[O:22].[s:1]1[c:2]([NH:13][C:14](=[O:15])[NH:16][CH2:17][CH3:18])[n:3][c:4]2[c:12]1-[c:11]1[c:7]([cH:8][cH:9][nH:10]1)[CH2:6][CH2:5]2>>[s:1]1[c:2]([NH:13][C:14](=[O:15])[NH:16][CH2:17][CH3:18])[n:3][c:4]2[c:12]1-[c:11]1[c:7]([cH:8][cH:9][n:10]1[CH3:20])[CH2:6][CH2:5]2

참가 물질

반응물 3

HCID 1140Toluene

HCID 67752,3-Dichloro-5,6-dicyano-1,4-benzoquinone

HCID 21985605N-(5,8-dihydro-4H-[1,3]thiazolo[4,5-g]indol-2-yl)-N'-ethylurea

생성물 1

HCID 21985619N-Ethyl-N'-(8-methyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-g]indol-2-yl)urea

출처 및 근거

ORD 기록: ord-86fd1b4294014cbabc0d78d50f736bbf
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…