Water → {1-Bromo-6-[3-(3,3-dimethyl-butyryl)-benzo[b]thiophen-2-yl]-naphthalen-2-yloxy}-acetic acid ethyl ester
반응식
[C:28]([CH3:29])([CH3:30])([CH3:31])[CH2:32][C:33](=[O:34])[Cl:35].[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([Br:26])[c:9]2[cH:10][cH:11][c:12](-[c:17]3[cH:18][c:19]4[c:20]([s:21]3)[cH:22][cH:23][cH:24][cH:25]4)[cH:13][c:14]2[cH:15][cH:16]1)=[O:27].[CH:42]([Cl:43])([Cl:44])[Cl:45].[OH2:41].[Sn:36]([Cl:37])([Cl:38])([Cl:39])[Cl:40]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([Br:26])[c:9]2[cH:10][cH:11][c:12](-[c:17]3[c:18]([C:33]([CH2:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[c:19]4[c:20]([s:21]3)[cH:22][cH:23][cH:24][cH:25]4)[cH:13][c:14]2[cH:15][cH:16]1)=[O:27]참가 물질
6
출처 및 근거
- ORD 기록
- ord-808362ef76714d6e98331fca674b3aa8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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