Allyl Isothiocyanate → 1-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-11-yl}-3-[allyl]thiourea

HRID 169375

반응식

[CH2:26]([CH:27]=[CH2:28])[N:29]=[C:30]=[S:31].[CH3:32][C:33]#[N:34].[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]3[c:9]4[c:10]([cH:23][cH:24][cH:25]3)[C:11](=[O:22])[N:12]([CH2:17][CH2:18][N:19]([CH3:20])[CH3:21])[C:13](=[O:16])[c:14]4[c:15]12>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]3[c:9]4[c:10]([cH:23][cH:24][cH:25]3)[C:11](=[O:22])[N:12]([CH2:17][CH2:18][N:19]([CH3:20])[CH3:21])[C:13](=[O:16])[c:14]4[c:15]12)[C:30]([NH:29][CH2:26][CH:27]=[CH2:28])=[S:31]

참가 물질

반응물 3

HCID 5971Allyl Isothiocyanate

HCID 6342Acetonitrile

HCID 1006541311-amino-2-[2-(dimethylamino)ethyl]-1H-dibenzo[de,h]isoquinoline-1,3(2H)-dione

생성물 1

HCID 167180431-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-11-yl}-3-[allyl]thiourea

출처 및 근거

ORD 기록: ord-ab0c0820a448408395d3ae161e584f00
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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