HRID2311247

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：O=C1NC(=O)c2ccc(Br)cc2C1=CNc1ccc(CN2CCCC2CO)cc1

HCID178518260

未命名化合物

HCID178528057

未命名化合物

PRODUCTS

生成物

结构：O=C1NC(=O)c2ccc(-c3cccs3)cc2C1=CNc1ccc(CN2CCCC2CO)cc1

HCID178518302

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-190f0b800711452bb8908f5bb7e71fb9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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