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

HRID 193374

반응식

HRID 193374 반응식
[CH3:26][O:27][CH2:28][CH2:29][N:30]=[C:31]=[S:32].[CH3:33][C:34]#[N:35].[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:31]([NH:30][CH2:29][CH2:28][O:27][CH3:26])=[S:32]

참가 물질

4

반응물 3

HCID 6342AcetonitrileHCID 1234752-Methoxyethyl isothiocyanateHCID 1006541311-amino-2-[2-(dimethylamino)ethyl]-1H-dibenzo[de,h]isoquinoline-1,3(2H)-dione

생성물 1

HCID 167180391-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-11-yl}-3-[2-methoxyethyl]thiourea

출처 및 근거

ORD 기록
ord-968b01e6a0dd45179f72b105e52fb980
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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