Ethyl 6-bromohexanoate → 6-[5-Chloro-2-(1-cyclohexylmethyl-5,6-difluoro-1H-benzoimidazol-2-yl)-phenoxy]-hexanoic acid ethyl ester
반응식
[CH2:27]([CH3:28])[O:29][C:30]([CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][Br:36])=[O:37].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:9]2[n:10][c:11]3[c:12]([n:13]2[CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[cH:21][c:22]([F:26])[c:23]([F:25])[cH:24]3)[c:6]([OH:8])[cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:9]2[n:10][c:11]3[c:12]([n:13]2[CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[cH:21][c:22]([F:26])[c:23]([F:25])[cH:24]3)[c:6]([O:8][CH2:35][CH2:34][CH2:33][CH2:32][CH2:31][C:30]([O:29][CH2:27][CH3:28])=[O:37])[cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-2bd200fb43bf4dcaa9e988ad6f79b70a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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