Sodium Ion → 6-Ethynyl-4,4-dimethylthiochroman
반응식
[CH2:21]1[O:22][CH2:23][CH2:24][O:25][CH2:26]1.[CH3:4][C:5]1([CH3:20])[CH2:6][CH2:7][S:8][c:9]2[cH:10][cH:11][c:12]([C:15](=[CH:16][CH:18]=[O:19])[Cl:17])[cH:13][c:14]21.[Na+:3].[OH-:2].[OH2:1]>>[CH3:4][C:5]1([CH3:20])[CH2:6][CH2:7][S:8][c:9]2[cH:10][cH:11][c:12]([C:15]#[CH:16])[cH:13][c:14]21참가 물질
6
출처 및 근거
- ORD 기록
- ord-39280040bdc64f2697c88ad6645a36dc
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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