Acetone → 10a-(4-Chloro-benzenesulfonyl)-1,4-difluoro-6a,9,10,10a-tetrahydro-6H,7H-benzo[c]chromen-8-one
반응식
[CH3:42][C:43](=[O:44])[CH3:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[C:11]23[c:12]4[c:13]([c:25]([F:30])[cH:26][cH:27][c:28]4[F:29])[O:14][CH2:15][CH:16]2[CH2:17][C:18]2([CH2:19][CH2:20]3)[O:21][CH2:24][CH2:23][O:22]2)[cH:6][cH:7]1.[OH2:46].[c:31]1([CH3:32])[c:33]([S:34]([Cl:35])(=[O:36])=[O:37])[cH:38][cH:39][cH:40][cH:41]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[C:11]23[c:12]4[c:13]([c:25]([F:30])[cH:26][cH:27][c:28]4[F:29])[O:14][CH2:15][CH:16]2[CH2:17][C:18](=[O:21])[CH2:19][CH2:20]3)[cH:6][cH:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-47a9fd29cde44b8597760c6355e2d97d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
- DOI