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[C:17]([CH3:18])([CH3:19])([CH3:20])[c:21]1[cH:22][c:23]([C:32]([CH3:33])([CH3:34])[CH3:35])[c:24]2[c:25]([cH:31]1)[CH:26]([OH:30])[C:27](=[O:29])[O:28]2.[CH3:1][c:2]1[cH:3][c:4]([CH3:5])[c:6]([CH3:7])[c:8]([CH3:9])[c:10]1[CH3:11].[Cl:36][CH2:37][CH2:38][Cl:39].[OH2:40].[Sn:12]([Cl:13])([Cl:14])([Cl:15])[Cl:16]>>[CH3:1][c:2]1[c:3]([CH:26]2[c:25]3[c:24]([c:23]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:22][c:21]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:31]3)[O:28][C:27]2=[O:29])[c:4]([CH3:5])[c:6]([CH3:7])[c:8]([CH3:9])[c:10]1[CH3:11]참가 물질
6
출처 및 근거
- ORD 기록
- ord-835fef4e84fa4089836e9946b42ff3a9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…