Water → HCID 22672646, 화합물
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[B:23]([Br:24])([Br:25])[Br:26].[CH2:28]([Cl:29])[Cl:30].[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]3[n:9]([cH:10][cH:11][cH:12]2)[c:13]([CH3:17])[c:14]([CH3:16])[n:15]3)[c:18]([CH3:22])[cH:19][cH:20][cH:21]1.[OH2:27]>>[OH:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]3[n:9]([cH:10][cH:11][cH:12]2)[c:13]([CH3:17])[c:14]([CH3:16])[n:15]3)[c:18]([CH3:22])[cH:19][cH:20][cH:21]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-3123dad48761440bbec5db6ad54847b0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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