HRID281807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID15540684

Ethyl 3-ethynylbenzoate

C11H10O2

HCID59852691

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cccc(C#Cc2ccc3c(c2)OCC(C)(C)CO3)c1

HCID11462234

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3bb066b652994e9e90cda1ffed15eef8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][c:7]([C:11]#[CH:12])[cH:8][cH:9][cH:10]1)=[O:13].[CH2:28]1[O:29][CH2:30][CH2:31][CH2:32]1.[CH3:83][CH2:84][CH2:85][CH2:86][CH2:87][CH3:88].[CH:33]([NH:34][CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cu:81][I:82].[I:14][c:15]1[cH:16][c:17]2[c:18]([cH:26][cH:27]1)[O:19][CH2:20][C:21]([CH3:24])([CH3:25])[CH2:22][O:23]2.[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][c:7]([C:11]#[C:12][c:15]2[cH:16][c:17]3[c:18]([cH:26][cH:27]2)[O:19][CH2:20][C:21]([CH3:24])([CH3:25])[CH2:22][O:23]3)[cH:8][cH:9][cH:10]1)=[O:13]