m,alpha-Dichlorotoluene → 1-(3-Chloro-benzyl)-3-(2,3-dihydro-benzo[1,4]dioxine-6-carbonyl)-1H-quinolin-4-one
반응식
[Cl:24][c:25]1[cH:26][c:27]([CH2:31][Cl:32])[cH:28][cH:29][cH:30]1.[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([C:11](=[O:12])[c:13]1[cH:14][nH:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3[c:22]1=[O:23])[cH:10]2>>[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([C:11](=[O:12])[c:13]1[cH:14][n:15]([CH2:31][c:27]3[cH:26][c:25]([Cl:24])[cH:30][cH:29][cH:28]3)[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3[c:22]1=[O:23])[cH:10]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-cfbeb8c3dc5142378921f9190469b2a7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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