HRID169512

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19619678

2-[4-(1,1-Dimethylethyl)phenoxy]butanoic acid

C14H20O3

结构：CC1C=CC2=CC(C(C)(C)C)CC(O)C2C1(CCC1CC(C(C)(C)C)C(O[SiH](C)C)C(=O)O1)O[SiH](C)C

HCID178422640

未命名化合物

PRODUCTS

生成物

结构：CCC(Oc1ccc(C(C)(C)C)cc1)C(=O)OC1CC(C(C)(C)C)C=C2C=CC(C)C(CCC3CC(C(C)(C)C)C(O[SiH](C)C)C(=O)O3)(O[SiH](C)C)C21

HCID178458359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-092db949f51e45c2afb588b2af829652
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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