4-Bromobenzaldehyde → HCID 86660613, 화합물
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[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]([c:8]2[cH:9][cH:10][c:11]([F:14])[cH:12][cH:13]2)[CH:15]([CH3:16])[CH3:17])[cH:18][cH:19]1.[Br:20][c:21]1[cH:22][cH:23][c:24]([CH:25]=[O:26])[cH:27][cH:28]1.[OH:29][CH2:30][c:31]1[s:32][c:33]([B:34]([OH:35])[OH:36])[cH:37][cH:38]1>>[c:2]1(-[c:21]2[cH:22][cH:23][c:24]([CH:25]=[O:26])[cH:27][cH:28]2)[cH:3][cH:4][c:5]([CH2:6][N:7]([c:8]2[cH:9][cH:10][c:11]([F:14])[cH:12][cH:13]2)[CH:15]([CH3:16])[CH3:17])[cH:18][cH:19]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-ae00ae32393c48bb86fabc0ebb8bc84e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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