HRID1536645

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：CC1(c2ccc(C(O)C(C)(C)C)cc2)OCCO1

HCID21409396

未命名化合物

反应SMILES：CC1(c2ccc(C(O)C(C)(C)C)cc2Cl)OCCO1

HCID21409402

未命名化合物

反应SMILES：CCC1(c2ccc(C(O)C(C)(C)C)cc2)OCCO1

HCID21409415

未命名化合物

PRODUCTS

产物

HCID21409414

1-[4-(1-Hydroxy-2,2-dimethylpropyl)phenyl]propan-1-one

C14H20O2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-065a299f437c4e6a9214943c01beafc0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[CH2:38]([CH3:39])[C:40]1([c:45]2[cH:46][cH:47][c:48]([CH:51]([C:52]([CH3:53])([CH3:54])[CH3:55])[OH:56])[cH:49][cH:50]2)[O:41][CH2:44][CH2:43][O:42]1.[CH3:19][C:20]1([c:21]2[cH:22][cH:23][c:24]([CH:25]([OH:26])[C:27]([CH3:28])([CH3:29])[CH3:30])[cH:31][c:32]2[Cl:33])[O:34][CH2:35][CH2:36][O:37]1.[CH3:1][C:2]1([c:3]2[cH:4][cH:5][c:6]([CH:7]([OH:8])[C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]2)[O:15][CH2:16][CH2:17][O:18]1>>[CH2:38]([CH3:39])[C:40](=[O:41])[c:45]1[cH:46][cH:47][c:48]([CH:51]([C:52]([CH3:53])([CH3:54])[CH3:55])[OH:56])[cH:49][cH:50]1