HRID2320004

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

结构：CC1(C)OB(c2ccc(C(=O)NCC3CC3)cc2)OC1(C)C

HCID11483451

未命名化合物

HCID18457818

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：Cc1cc(F)c(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2CC2)cc1

HCID44479931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02199cfb0fa24a94ab67b2008ccc8ebc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:15])[cH:4][c:5]([F:14])[c:6]([C:7](=[O:8])[NH:9][CH:10]2[CH2:11][CH2:12]2)[cH:13]1.[CH3:38][CH:39]([OH:40])[CH3:41].[CH:16]1([CH2:19][NH:20][C:21]([c:22]2[cH:23][cH:24][c:25]([B:28]3[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]3)[cH:26][cH:27]2)=[O:37])[CH2:17][CH2:18]1.[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([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)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([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)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([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)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[c:2]1(-[c:25]2[cH:24][cH:23][c:22]([C:21]([NH:20][CH2:19][CH:16]3[CH2:17][CH2:18]3)=[O:37])[cH:27][cH:26]2)[c:3]([CH3:15])[cH:4][c:5]([F:14])[c:6]([C:7](=[O:8])[NH:9][CH:10]2[CH2:11][CH2:12]2)[cH:13]1