Acetonitrile → 1-(2,1,3-Benzothiadiazol-5-yl)-3-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-11-yl}thiourea

HRID 177356

반응식

HRID 177356 반응식
[CH3:38][C:39]#[N:40].[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.[n:26]1[s:27][n:28][c:29]2[c:30]1[cH:31][cH:32][c:33]([N:35]=[C:36]=[S:37])[cH:34]2>>[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:36]([NH:35][c:33]1[cH:32][cH:31][c:30]2[n:26][s:27][n:28][c:29]2[cH:34]1)=[S:37]

참가 물질

4

반응물 3

HCID 6342AcetonitrileHCID 27762922,1,3-Benzothiadiazol-5-yl isothiocyanateHCID 1006541311-amino-2-[2-(dimethylamino)ethyl]-1H-dibenzo[de,h]isoquinoline-1,3(2H)-dione

생성물 1

HCID 167180991-(2,1,3-Benzothiadiazol-5-yl)-3-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-11-yl}thiourea

출처 및 근거

ORD 기록
ord-938a92cb90114db9bd69e958b2fc4849
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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