Water → Methyl 4-(4-methoxycinnamoyl)-1(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate
반응식
[CH3:14][O:15][c:16]1[cH:17][c:18]([C:19](=[O:20])[N:21]2[CH:22]([C:27](=[O:28])[O:29][CH3:30])[CH2:23][NH:24][CH2:25][CH2:26]2)[cH:31][c:32]([O:36][CH3:37])[c:33]1[O:34][CH3:35].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:7]=[CH:8][C:9](=[O:10])[Cl:11])[cH:12][cH:13]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cl:46][CH2:47][Cl:48].[OH2:45]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:7]=[CH:8][C:9](=[O:10])[N:24]2[CH2:23][CH:22]([C:27](=[O:28])[O:29][CH3:30])[N:21]([C:19]([c:18]3[cH:17][c:16]([O:15][CH3:14])[c:33]([O:34][CH3:35])[c:32]([O:36][CH3:37])[cH:31]3)=[O:20])[CH2:26][CH2:25]2)[cH:12][cH:13]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-8aec3eef7b2b4730bb5f9a665e0a114f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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