Methanol → [4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-yl-ethynyl)phenyl]-acetic acid
반응식
[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][c:15]3[c:20]([cH:21][cH:22]2)[CH2:19][N:18]([CH:23]2[CH2:24][CH2:25]2)[CH2:17][C:16]3([CH3:26])[CH3:27])[cH:9][cH:10]1)=[O:28].[CH3:29][OH:30].[Li+:38].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH-:37].[OH2:36].[OH2:39]>>[O:2]=[C:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][c:15]3[c:20]([cH:21][cH:22]2)[CH2:19][N:18]([CH:23]2[CH2:24][CH2:25]2)[CH2:17][C:16]3([CH3:26])[CH3:27])[cH:9][cH:10]1)[OH:28]참가 물질
7
반응물 6
생성물 1
출처 및 근거
- ORD 기록
- ord-f8a2174e861b41dd86cd1b19d80cd41c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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