1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole → [4,5-diacetyloxy-6-[3-(1,3,5-trimethylpyrazol-4-yl)phenoxy]thian-3-yl] acetate
반응식
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:7][c:8]2[cH:9][c:10]([Br:14])[cH:11][cH:12][cH:13]2)[S:15][CH2:16][CH:17]([O:23][C:24]([CH3:25])=[O:26])[CH:18]1[O:19][C:20]([CH3:21])=[O:22].[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([c:35]2[c:36]([CH3:42])[n:37][n:38]([CH3:41])[c:39]2[CH3:40])[O:43]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:7][c:8]2[cH:9][c:10](-[c:35]3[c:36]([CH3:42])[n:37][n:38]([CH3:41])[c:39]3[CH3:40])[cH:11][cH:12][cH:13]2)[S:15][CH2:16][CH:17]([O:23][C:24]([CH3:25])=[O:26])[CH:18]1[O:19][C:20]([CH3:21])=[O:22]참가 물질
3
출처 및 근거
- ORD 기록
- ord-5f4c338a992a4d55bad8fbacb66b02e5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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