2-Methoxyphenylboronic acid → 4-(2-Methoxyphenyl)-6-[3,5-bis(trifluoromethyl)benzyl]-6,7,8,9-tetrahydro-5H-10-oxa-1,6-diazabenzocyclooctene-5-one
반응식
[CH3:30][O:31][c:32]1[c:33]([B:38]([OH:39])[OH:40])[cH:34][cH:35][cH:36][cH:37]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:20])[c:9]3[c:10]([n:15][cH:16][cH:17][c:18]3[I:19])[O:11][CH2:12][CH2:13][CH2:14]2)[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1)([F:28])[F:29]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:20])[c:9]3[c:10]([n:15][cH:16][cH:17][c:18]3-[c:33]3[c:32]([O:31][CH3:30])[cH:37][cH:36][cH:35][cH:34]3)[O:11][CH2:12][CH2:13][CH2:14]2)[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1)([F:28])[F:29]참가 물질
3
출처 및 근거
- ORD 기록
- ord-c0b6a6f3c23a48768eebb08f8174d4a4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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