HRID2126786

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

3 次

HCID24290

未命名化合物

HCID24350

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

CuI

HCID92976

1,1-Diphenyl-2-propyn-1-ol

C15H12O

HCID86664847

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(C=O)c(C#CC(O)(c2ccccc2)c2ccccc2)n1Cc1ccccc1

HCID86664849

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88e8c0a3886d4f63b618ed0b33e64135
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([C:16](=[O:17])[O:18][CH3:19])[cH:10][c:11]([CH:14]=[O:15])[c:12]1[I:13].[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[Cu:67][I:68].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[Pd:69]([Cl:70])[Cl:71].[c:20]1([C:26]([C:27]#[CH:28])([OH:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1.[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]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.[c:91]1([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106][cH:107][cH:108][cH:109]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([C:16](=[O:17])[O:18][CH3:19])[cH:10][c:11]([CH:14]=[O:15])[c:12]1[C:28]#[C:27][C:26]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)([OH:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1