HRID2142957

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID10908

tert-Butyl acetate

C6H12O2

HCID21938575

3-(3-Benzyloxy-phenyl)-1-cyclopentyl-propan-1-one

C21H24O2

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CC(O)(CCc1cccc(OCc2ccccc2)c1)C1CCCC1

HCID53999177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e3a70b677da443482ddf3b1bb251b22
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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