6,11-Dihydro-2-methyldibenz[b,e]-oxepin-11-carboxylic acid → 6,11-Dihydro-N-(2,6-diisopropyl-4-thiocyanatophenyl)-2-methyldibenz[b,e]oxepin-11-carboxamide
반응식
[CH3:1][c:2]1[cH:3][c:4]2[c:5]([cH:18][cH:19]1)[O:6][CH2:7][c:8]1[c:9]([cH:14][cH:15][cH:16][cH:17]1)[CH:10]2[C:11](=[O:12])[OH:13].[CH:20]([CH3:21])([CH3:22])[c:23]1[c:24]([NH2:25])[c:26]([CH:33]([CH3:34])[CH3:35])[cH:27][c:28]([S:30][C:31]#[N:32])[cH:29]1>>[CH3:1][c:2]1[cH:3][c:4]2[c:5]([cH:18][cH:19]1)[O:6][CH2:7][c:8]1[c:9]([cH:14][cH:15][cH:16][cH:17]1)[CH:10]2[C:11](=[O:12])[NH:25][c:24]1[c:23]([CH:20]([CH3:21])[CH3:22])[cH:29][c:28]([S:30][C:31]#[N:32])[cH:27][c:26]1[CH:33]([CH3:34])[CH3:35]참가 물질
3
출처 및 근거
- ORD 기록
- ord-c4ea6d847c8246b3980a83442fe6532a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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