HRID1231738

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID23938

Palladium

2 次

HCID24350

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

CuI

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID543061

未命名化合物

结构：O=C(c1cccnc1Oc1cc(Cl)c(Br)cc1Cl)N1CCCc2ccccc21

HCID59294540

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCC#Cc1cc(Cl)c(Oc2ncccc2C(=O)N2CCCc3ccccc32)cc1Cl

HCID59294543

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd121f2723a045e7b8fb4ee85c8735a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([Cl:28])[c:5]([O:6][c:7]2[n:8][cH:9][cH:10][cH:11][c:12]2[C:13](=[O:14])[N:15]2[CH2:16][CH2:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]32)[cH:25][c:26]1[Cl:27].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:29][O:30][C:31]([CH2:32][CH2:33][C:34]#[CH:35])=[O:36].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH:105]([Cl:106])([Cl:107])[Cl:108].[Cu:109][I:110].[O:51]=[C:52]([CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Pd:49].[Pd:50]>>[c:2]1([C:35]#[C:34][CH2:33][CH2:32][C:31]([O:30][CH3:29])=[O:36])[cH:3][c:4]([Cl:28])[c:5]([O:6][c:7]2[n:8][cH:9][cH:10][cH:11][c:12]2[C:13](=[O:14])[N:15]2[CH2:16][CH2:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]32)[cH:25][c:26]1[Cl:27]