1-Butanol → 6-[3-(1-Adamantyl)-4-(3-hydroxypropyloxy)phenyl]-2-naphthoic acid
반응식
[C:1]12([c:11]3[cH:12][c:13](-[c:22]4[cH:23][c:24]5[cH:25][cH:26][c:27]([C:32](=[O:33])[O:34][CH3:35])[cH:28][c:29]5[cH:30][cH:31]4)[cH:14][cH:15][c:16]3[O:17][CH2:18][CH2:19][CH2:20][OH:21])[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[CH2:38]([OH:39])[CH2:40][CH2:41][CH3:42].[K+:37].[OH-:36]>>[C:1]12([c:11]3[cH:12][c:13](-[c:22]4[cH:23][c:24]5[cH:25][cH:26][c:27]([C:32](=[O:33])[OH:34])[cH:28][c:29]5[cH:30][cH:31]4)[cH:14][cH:15][c:16]3[O:17][CH2:18][CH2:19][CH2:20][OH:21])[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-9c4662ae4cfc454ba8101550def24237
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)