HRID2148498

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID12187202

2-Bromo-5-iodoanisole

C7H6BrIO

HCID44118767

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

HCID59408882

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f9c6d14b94d4bf6a10c8f93113a9836
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[c:3]([O:9][CH3:10])[cH:4][c:5]([I:8])[cH:6][cH:7]1.[CH3:24][O:25][CH2:26][CH2:27][O:28][CH3:29].[CH3:30][CH2:31][O:32][C:33]([CH3:34])=[O:35].[ClH:11].[NH2:12][c:13]1[c:14]([B:21]([OH:22])[OH:23])[cH:15][cH:16][c:17]([C:19]#[N:20])[cH:18]1.[OH2:113].[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112]1>>[Br:1][c:2]1[c:3]([O:9][CH3:10])[cH:4][c:5](-[c:14]2[c:13]([NH2:12])[cH:18][c:17]([C:19]#[N:20])[cH:16][cH:15]2)[cH:6][cH:7]1