HRID2343338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8071

未命名化合物

HCID22021677

4-Ethoxy-2-(trifluoromethyl)phenylboric acid

C9H10BF3O3

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

结构：CC(C)(C)OC(=O)N1CCC2C(C1)c1cc(Br)cc3c1N2CC3

HCID178451541

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(-c2cc3c4c(c2)C2CN(C(=O)OC(C)(C)C)CCC2N4CC3)c(C(F)(F)F)c1

HCID178466068

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ab9ff19568941c8a174debe1c703094
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[cH:3][c:4]2[c:8]3[c:9]([cH:10]1)[CH2:11][CH2:12][N:7]3[CH:6]1[CH:5]2[CH2:16][N:15]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:14][CH2:13]1.[CH2:24]([CH3:25])[O:26][c:27]1[cH:28][c:29]([C:36]([F:37])([F:38])[F:39])[c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1.[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[OH2:46].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([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)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([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)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[c:2]1(-[c:30]2[c:29]([C:36]([F:37])([F:38])[F:39])[cH:28][c:27]([O:26][CH2:24][CH3:25])[cH:32][cH:31]2)[cH:3][c:4]2[c:8]3[c:9]([cH:10]1)[CH2:11][CH2:12][N:7]3[CH:6]1[CH:5]2[CH2:16][N:15]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:14][CH2:13]1