Ethanol → 4-(1,3-Dioxo-2,3-dihydro-1H-isoindol-5-ylamino)-6,7-diethoxy-quinoline-3-carbonitrile

HRID 294431노트

반응식

HRID 294431 반응식
[CH3:39][CH2:40][OH:41].[Cl:1][c:2]1[c:3]([C:18]#[N:19])[cH:4][n:5][c:6]2[cH:7][c:8]([O:15][CH2:16][CH3:17])[c:9]([O:12][CH2:13][CH3:14])[cH:10][c:11]12.[NH2:20][c:21]1[cH:22][c:23]2[c:24]([cH:30][cH:31]1)[C:25](=[O:26])[NH:27][C:28]2=[O:29].[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[OH2:38]>>[c:2]1([NH:20][c:21]2[cH:22][c:23]3[c:24]([cH:30][cH:31]2)[C:25](=[O:26])[NH:27][C:28]3=[O:29])[c:3]([C:18]#[N:19])[cH:4][n:5][c:6]2[cH:7][c:8]([O:15][CH2:16][CH3:17])[c:9]([O:12][CH2:13][CH3:14])[cH:10][c:11]12

참가 물질

7

출처 및 근거

ORD 기록
ord-69058ebf246a406ab85bf67d34fd9994
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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