1-Ethynyl-4-propylbenzene → Ethyloxo{({3-[(4-propylphenyl)ethynyl]-1-benzofuran-5-yl}methyl)[4 (trifluoromethyl)benzyl]amino}acetate
반응식
[C:31](#[CH:32])[c:33]1[cH:34][cH:35][c:36]([CH2:39][CH2:40][CH3:41])[cH:37][cH:38]1.[CH2:1]([CH3:2])[O:3][C:4]([C:5](=[O:6])[N:7]([CH2:8][c:9]1[cH:10][cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]1)[CH2:19][c:20]1[cH:21][cH:22][c:23]2[c:24]([c:25]([Br:28])[cH:26][o:27]2)[cH:29]1)=[O:30]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5](=[O:6])[N:7]([CH2:8][c:9]1[cH:10][cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]1)[CH2:19][c:20]1[cH:21][cH:22][c:23]2[c:24]([c:25]([C:32]#[C:31][c:33]3[cH:34][cH:35][c:36]([CH2:39][CH2:40][CH3:41])[cH:37][cH:38]3)[cH:26][o:27]2)[cH:29]1)=[O:30]참가 물질
3
출처 및 근거
- ORD 기록
- ord-3e27d5a7f25840d1afcc203d57a48f5f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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