Ethanol → Ethyl 4'-(2-cyclopropylaminoethoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth-2-yl)biphenyl-4-carboxylate
反応式
[Br:1][CH2:2][CH2:3][O:4][c:5]1[c:6](-[c:22]2[cH:23][c:24]3[c:29]([cH:30][cH:31]2)[C:28]([CH3:32])([CH3:33])[CH2:27][CH2:26][C:25]3([CH3:34])[CH3:35])[cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:15][cH:16]2)[cH:9][cH:10]1.[CH3:40][CH2:41][OH:42].[CH:36]1([NH2:39])[CH2:37][CH2:38]1>>[CH2:2]([CH2:3][O:4][c:5]1[c:6](-[c:22]2[cH:23][c:24]3[c:29]([cH:30][cH:31]2)[C:28]([CH3:32])([CH3:33])[CH2:27][CH2:26][C:25]3([CH3:34])[CH3:35])[cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:15][cH:16]2)[cH:9][cH:10]1)[NH:39][CH:36]1[CH2:37][CH2:38]1参加物
4
出典と根拠
- ORDレコード
- ord-c73759ada69244af93154a33f457871b
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)