Acetate → 2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide
반응식
[CH3:19][C:20]([CH2:21][CH3:22])([CH3:23])[c:24]1[c:25]([O:26][CH:27]([C:28](=[O:29])[Cl:30])[CH2:31][CH3:32])[cH:33][cH:34][c:35]([C:37]([CH2:38][CH3:39])([CH3:40])[CH3:41])[cH:36]1.[CH3:3][C:4](=[O:5])[O-:6].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:7][c:8]1[c:9]([OH:18])[c:10]([NH2:11])[cH:12][c:13]([Cl:17])[c:14]1[CH2:15][CH3:16].[Na+:2].[OH2:1]>>[Cl:7][c:8]1[c:9]([OH:18])[c:10]([NH:11][C:28]([CH:27]([O:26][c:25]2[c:24]([C:20]([CH3:19])([CH2:21][CH3:22])[CH3:23])[cH:36][c:35]([C:37]([CH2:38][CH3:39])([CH3:40])[CH3:41])[cH:34][cH:33]2)[CH2:31][CH3:32])=[O:29])[cH:12][c:13]([Cl:17])[c:14]1[CH2:15][CH3:16]참가 물질
8
출처 및 근거
- ORD 기록
- ord-b3914930d51b4d7b985c05f3173c2ea2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
반응 노트
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