3,5-Di-tert-butyl-4-hydroxybenzaldehyde → 3-(3,5-Ditert-butyl-4-hydroxyphenyl)-2-pyridin-2-ylsulfonylprop-2-enenitrile
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:8]=[O:9])[cH:10][c:11]([C:14]([CH3:15])([CH3:16])[CH3:17])[c:12]1[OH:13].[n:18]1[c:19]([S:24](=[O:25])(=[O:26])[CH2:27][C:28]#[N:29])[cH:20][cH:21][cH:22][cH:23]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:8]=[C:27]([S:24]([c:19]2[n:18][cH:23][cH:22][cH:21][cH:20]2)(=[O:25])=[O:26])[C:28]#[N:29])[cH:10][c:11]([C:14]([CH3:15])([CH3:16])[CH3:17])[c:12]1[OH:13]참가 물질
3
출처 및 근거
- ORD 기록
- ord-d25a01119d7943f49d77d4ce6297522a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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