HRID168466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID23730425

(4-Chloro-2-formylphenyl)boronic acid

C7H6BClO3

HCID56605248

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc(Cl)cc2C=O)[nH]1

HCID72338266

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43bb154b8cde4ceb9ce514bd374b0088
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([c:13]2[nH:14][c:15]([Br:18])[cH:16][n:17]2)[CH2:10][CH2:11][CH2:12]1.[CH3:108][O:109][CH2:110][CH2:111][O:112][CH3:113].[Cl:19][c:20]1[cH:21][c:22]([CH:29]=[O:30])[c:23]([B:26]([OH:27])[OH:28])[cH:24][cH:25]1.[cH:31]1[cH:32][cH:33][c:34]([P:35]([Pd:36]([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)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([c:13]2[nH:14][c:15](-[c:23]3[c:22]([CH:29]=[O:30])[cH:21][c:20]([Cl:19])[cH:25][cH:24]3)[cH:16][n:17]2)[CH2:10][CH2:11][CH2:12]1