HRID681187

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734659

2,4-Dichlorophenylboronic acid

C6H5BCl2O2

HCID22147326

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：COC(=O)c1nc(NC2c3ccccc3CC2O)cnc1-c1ccc(Cl)cc1Cl

HCID22147520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a27c08e35c14e6a98cf8e3604ca65f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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