Dichloromethane → 3-((4-(4-amino-5-chloro-2-methoxybenzoyl)piperazin-1-yl)methyl)-N-tert-butylbenzamide
반응식
[C:21]([CH3:22])([CH3:23])([CH3:24])[NH:25][C:26]([c:27]1[cH:28][c:29]([CH2:33][N:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[cH:30][cH:31][cH:32]1)=[O:40].[CH2:1]([P:2]([OH:3])(=[O:4])[OH:5])[CH2:6][CH3:7].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[Cl:48][CH2:49][Cl:50].[NH2:8][c:9]1[cH:10][c:11]([O:19][CH3:20])[c:12]([C:13](=[O:14])[OH:15])[cH:16][c:17]1[Cl:18]>>[NH2:8][c:9]1[cH:10][c:11]([O:19][CH3:20])[c:12]([C:13](=[O:15])[N:37]2[CH2:36][CH2:35][N:34]([CH2:33][c:29]3[cH:28][c:27]([C:26]([NH:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:40])[cH:32][cH:31][cH:30]3)[CH2:39][CH2:38]2)[cH:16][c:17]1[Cl:18]참가 물질
6
출처 및 근거
- ORD 기록
- ord-6ec0c8aa28fd4a5195527a98b14ae813
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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