Acetonitrile → 1-(1,3-benzodioxol-5-yl)-3-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-8-yl}urea

HRID 1558209

반응식

HRID 1558209 반응식
[CH2:26]1[O:27][c:28]2[cH:29][c:30]([N:35]=[C:36]=[O:37])[cH:31][cH:32][c:33]2[O:34]1.[CH3:38][C:39]#[N:40].[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[cH:8][c:9]1[c:10]3[c:11]([cH:23][cH:24][cH:25]1)[C:12](=[O:22])[N:13]([CH2:17][CH2:18][N:19]([CH3:20])[CH3:21])[C:14](=[O:16])[c:15]23>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[cH:8][c:9]1[c:10]3[c:11]([cH:23][cH:24][cH:25]1)[C:12](=[O:22])[N:13]([CH2:17][CH2:18][N:19]([CH3:20])[CH3:21])[C:14](=[O:16])[c:15]23)[C:36]([NH:35][c:30]1[cH:29][c:28]2[c:33]([cH:32][cH:31]1)[O:34][CH2:26][O:27]2)=[O:37]

참가 물질

4

반응물 3

HCID 6342AcetonitrileHCID 52232135-Isocyanato-1,3-dioxaindaneHCID 100654148-amino-2-[2-(dimethylamino)ethyl]-1H-dibenzo[de,h]isoquinoline-1,3(2H)-dione

생성물 1

HCID 167178801-(1,3-benzodioxol-5-yl)-3-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-8-yl}urea

출처 및 근거

ORD 기록
ord-feee2241249e4e249d30201ba7e04e29
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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