1-Dodecyne → Ethyl{[(3-dodec-1-ynyl-1-benzofuran-5-yl)methyl][4-(trifluoromethyl)-benzyl]amino}(oxo)acetate
반응식
[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].[CH:31]#[C:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42]>>[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:31]#[C:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42])[cH:26][o:27]2)[cH:29]1)=[O:30]참가 물질
3
출처 및 근거
- ORD 기록
- ord-5b99864c8bf34fbb99b615b0f964e59f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
반응 노트
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