Phenol → Acetic Acid 3-[4-(1-benzenesulfonyl-1H-indol-5-ylamino)-quinazolin-6-yl]-allyl ester
반응식
[NH2:25][c:26]1[cH:27][c:28]2[cH:29][cH:30][n:31]([S:35](=[O:36])(=[O:37])[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:32]2[cH:33][cH:34]1.[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][cH:10][n:11][c:12]2[cH:13][cH:14][c:15]([CH:18]=[CH:19][CH2:20][O:21][C:22]([CH3:23])=[O:24])[cH:16][c:17]12.[OH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[c:8]1([NH:25][c:26]2[cH:27][c:28]3[cH:29][cH:30][n:31]([S:35](=[O:36])(=[O:37])[c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[c:32]3[cH:33][cH:34]2)[n:9][cH:10][n:11][c:12]2[cH:13][cH:14][c:15]([CH:18]=[CH:19][CH2:20][O:21][C:22]([CH3:23])=[O:24])[cH:16][c:17]12참가 물질
4
출처 및 근거
- ORD 기록
- ord-48aba038c3604c8ba453cd0294c3b07c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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