HRID159721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID142891

Ethyl 4-iodobenzoate

C9H9IO2

结构：C#Cc1cc(C2CC2)c2c(c1)C(C)(C)CC(C)(C)O2

HCID22569006

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(C#Cc2cc(C3CC3)c3c(c2)C(C)(C)CC(C)(C)O3)cc1

HCID69548071

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bae79193c20d40eba2fec5615707cafa
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

[CH2:20]([CH3:21])[O:22][C:23]([c:24]1[cH:25][cH:26][c:27]([I:30])[cH:28][cH:29]1)=[O:31].[CH2:32]([N:33]([CH2:34][CH3:35])[CH2:36][CH3:37])[CH3:38].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH3:91][CH2:92][O:93][C:94](=[O:95])[CH3:96].[CH:1]1([c:4]2[cH:5][c:6]([C:18]#[CH:19])[cH:7][c:8]3[c:13]2[O:12][C:11]([CH3:14])([CH3:15])[CH2:10][C:9]3([CH3:16])[CH3:17])[CH2:2][CH2:3]1.[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[Pd:50]([Cl:51])[Cl:52].[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1.[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1>>[CH:1]1([c:4]2[cH:5][c:6]([C:18]#[C:19][c:27]3[cH:26][cH:25][c:24]([C:23]([O:22][CH2:20][CH3:21])=[O:31])[cH:29][cH:28]3)[cH:7][c:8]3[c:13]2[O:12][C:11]([CH3:14])([CH3:15])[CH2:10][C:9]3([CH3:16])[CH3:17])[CH2:2][CH2:3]1