Hydrochloric Acid → 4-(3-Hydroxymethyl-2-methylphenylamino)-6,7-dimethoxyquinoline-3-carbonitrile
반응식
[CH3:35][CH2:36][O:37][CH2:38][CH2:39][OH:40].[Cl:1][c:2]1[c:3]([C:16]#[N:17])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12.[ClH:28].[NH2:18][c:19]1[c:20]([CH3:27])[c:21]([CH2:22][OH:23])[cH:24][cH:25][cH:26]1.[n:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[c:2]1([NH:18][c:19]2[c:20]([CH3:27])[c:21]([CH2:22][OH:23])[cH:24][cH:25][cH:26]2)[c:3]([C:16]#[N:17])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12참가 물질
6
출처 및 근거
- ORD 기록
- ord-6a6244976dcf4debb4af0b0c16a679b9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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