HRID164907

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2737811

4-Carbamoylphenylboronic acid

C7H8BNO3

结构：CN(C)Cc1cn(-c2ccc(Nc3ncc(Br)n4ccnc34)cc2)nn1

HCID59023092

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：CN(C)Cc1cn(-c2ccc(Nc3ncc(-c4ccc(C(N)=O)cc4)n4ccnc34)cc2)nn1

HCID59023026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc0ae8f079b94a8eb496a7fb577f8e7e
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][n:4][c:5]([NH:11][c:12]2[cH:13][cH:14][c:15](-[n:18]3[n:19][n:20][c:21]([CH2:23][N:24]([CH3:25])[CH3:26])[cH:22]3)[cH:16][cH:17]2)[c:6]2[n:7]1[cH:8][cH:9][n:10]2.[NH2:27][C:28](=[O:29])[c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]([C:28]([NH2:27])=[O:29])[cH:35][cH:34]2)[cH:3][n:4][c:5]([NH:11][c:12]2[cH:13][cH:14][c:15](-[n:18]3[n:19][n:20][c:21]([CH2:23][N:24]([CH3:25])[CH3:26])[cH:22]3)[cH:16][cH:17]2)[c:6]2[n:7]1[cH:8][cH:9][n:10]2