Ethyl 4-[(7,8-dihydro-8,8-dimethyl-5-(phenylethyn-1-yl)naphth-2-yl)ethynyl]benzoate → 4-[(7,8-Dihydro-8,8-dimethyl-5-(phenylethyn-1-yl)-naphth-2-yl)ethynyl]benzoic acid
반응식
[CH3:1][C:2]1([CH3:3])[c:4]2[cH:5][c:6]([C:7]#[C:8][c:9]3[cH:10][cH:11][c:12]([C:13]([OH:14])=[O:15])[cH:16][cH:17]3)[cH:18][cH:19][c:20]2[C:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)=[CH:28][CH2:29]1.[CH3:30][C:31]1([CH3:62])[CH2:32][CH:33]=[C:34]([C:54]#[C:55][c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:35]2[cH:36][cH:37][c:38]([C:41]#[C:42][c:43]3[cH:44][cH:45][c:46]([C:47](=[O:48])[O:49][CH2:50][CH3:51])[cH:52][cH:53]3)[cH:39][c:40]21>>[CH3:30][C:31]1([CH3:62])[CH2:32][CH:33]=[C:34]([C:54]#[C:55][c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:35]2[cH:36][cH:37][c:38]([C:41]#[C:42][c:43]3[cH:44][cH:45][c:46]([C:47](=[O:48])[OH:49])[cH:52][cH:53]3)[cH:39][c:40]21참가 물질
3
출처 및 근거
- ORD 기록
- ord-439e7cab4e6f4b67ab14f2c003f040c1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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