HCID 10790583, 화합물 → HCID 9917827, 화합물
반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9](-[c:17]2[cH:18][cH:19][c:20](-[c:23]3[cH:24][c:25]([Br:30])[c:26]([OH:29])[cH:27][cH:28]3)[cH:21][cH:22]2)[c:10]2[c:11]([s:12]1)[cH:13][cH:14][cH:15][cH:16]2.[Cl:31][S:32](=[O:33])(=[O:34])[c:35]1[cH:36][c:37]([OH:44])[c:38]([C:39](=[O:40])[OH:41])[cH:42][cH:43]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9](-[c:17]2[cH:18][cH:19][c:20](-[c:23]3[cH:24][c:25]([Br:30])[c:26]([O:29][S:32](=[O:33])(=[O:34])[c:35]4[cH:36][c:37]([OH:44])[c:38]([C:39](=[O:40])[OH:41])[cH:42][cH:43]4)[cH:27][cH:28]3)[cH:21][cH:22]2)[c:10]2[c:11]([s:12]1)[cH:13][cH:14][cH:15][cH:16]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-db6e573d27d04c6b92af2f3d3d909752
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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