HRID145542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734657

4-Acetamidophenylboronic acid

C8H10BNO3

结构：CC(C)C(O)(c1ccc(Br)cc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID12043387

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(=O)Nc1ccc(-c2ccc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)cc2)cc1

HCID18668637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cef30fee8274542902c69b5e5805d08
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH:9]([CH3:10])[CH3:11])([OH:12])[c:13]2[n:14][cH:15][n:16]([C:18]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:17]2)[cH:6][cH:7]1.[C:37]([CH3:38])(=[O:39])[NH:40][c:41]1[cH:42][cH:43][c:44]([B:47]([OH:48])[OH:49])[cH:45][cH:46]1.[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([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)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[c:2]1(-[c:44]2[cH:43][cH:42][c:41]([NH:40][C:37]([CH3:38])=[O:39])[cH:46][cH:45]2)[cH:3][cH:4][c:5]([C:8]([CH:9]([CH3:10])[CH3:11])([OH:12])[c:13]2[n:14][cH:15][n:16]([C:18]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:17]2)[cH:6][cH:7]1