HRID287868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID10821

Phenylacetylene

C8H6

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID83717

Copper iodide (CuI2)

CuI2

结构：COC(=O)C=Cc1c(Cl)nc(C)n1Cc1ccc(I)cc1Cl

HCID90905617

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=Cc1c(Cl)nc(C)n1Cc1ccc(C#Cc2ccccc2)cc1Cl

HCID91373651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-860ce9e184fa4e268b8d5f4e9da0cd3b
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

[C:32]([O:33][CH2:34][CH3:35])(=[O:36])[CH3:37].[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[CH:44]([NH:45][CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[n:3][c:4]([CH3:22])[n:5]([CH2:13][c:14]2[c:15]([Cl:21])[cH:16][c:17]([I:20])[cH:18][cH:19]2)[c:6]1[CH:7]=[CH:8][C:9](=[O:10])[O:11][CH3:12].[Cu:92]([I:93])[I:94].[OH2:31].[Pd:51]([Cl:52])[Cl:53].[c:23]1([C:29]#[CH:30])[cH:24][cH:25][cH:26][cH:27][cH:28]1.[c:54]1([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:73]1([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]1>>[Cl:1][c:2]1[n:3][c:4]([CH3:22])[n:5]([CH2:13][c:14]2[c:15]([Cl:21])[cH:16][c:17]([C:30]#[C:29][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:18][cH:19]2)[c:6]1[CH:7]=[CH:8][C:9](=[O:10])[O:11][CH3:12]