HRID833293

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10821

Phenylacetylene

C8H6

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID30165

Iodide ion

I-

结构：COc1cc(-c2cnc3c(n2)c(I)cn3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC

HCID59540744

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2cnc3c(n2)c(C#Cc2ccccc2)cn3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC

HCID59540633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d213dfbc481d4699b4b397106544bbe3
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:41](#[CH:42])[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[I-:33].[I:1][c:2]1[cH:3][n:4]([S:23](=[O:24])(=[O:25])[c:26]2[cH:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]2)[c:5]2[n:6][cH:7][c:8](-[c:11]3[cH:12][c:13]([O:21][CH3:22])[c:14]([O:19][CH3:20])[c:15]([O:17][CH3:18])[cH:16]3)[n:9][c:10]12.[O:96]=[CH:97][N:98]([CH3:99])[CH3:100].[Pd:55]([Cl:56])[Cl:57].[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1>>[c:2]1([C:42]#[C:41][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:3][n:4]([S:23](=[O:24])(=[O:25])[c:26]2[cH:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]2)[c:5]2[n:6][cH:7][c:8](-[c:11]3[cH:12][c:13]([O:21][CH3:22])[c:14]([O:19][CH3:20])[c:15]([O:17][CH3:18])[cH:16]3)[n:9][c:10]12