Theobromine → 6-(4-Chlorophenoxy)hexyltheobromine
반응식
[Cl:14][c:15]1[cH:16][cH:17][c:18]([O:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][Br:26])[cH:27][cH:28]1.[nH:1]1[c:2](=[O:3])[n:4]([CH3:5])[c:6]2[n:7][cH:8][n:9]([CH3:10])[c:11]2[c:12]1=[O:13]>>[n:1]1([CH2:25][CH2:24][CH2:23][CH2:22][CH2:21][CH2:20][O:19][c:18]2[cH:17][cH:16][c:15]([Cl:14])[cH:28][cH:27]2)[c:2](=[O:3])[n:4]([CH3:5])[c:6]2[n:7][cH:8][n:9]([CH3:10])[c:11]2[c:12]1=[O:13]참가 물질
3
출처 및 근거
- ORD 기록
- ord-5b1c30fda802434daac4c34de167ba01
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
반응 노트
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