HRID663548

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID2734652

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C12H18BNO2

HCID58679077

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)c1cc2[nH]c(-c3ccccc3N)c(C3CCCCC3)c2s1

HCID58679076

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d55ec8ea716f495f87f78e47975118ca
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]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[c:4]2[c:5]([nH:6]1)[cH:7][c:8]([C:10](=[O:11])[O:12][CH3:13])[s:9]2.[C:36](=[O:37])([O-:38])[OH:39].[CH3:20][C:21]1([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26][B:27]([c:28]2[c:29]([NH2:34])[cH:30][cH:31][cH:32][cH:33]2)[O:35]1.[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:48][O:49][CH2:50][CH2:51][O:52][CH3:53].[Na+:40].[OH2:47].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([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)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[c:2]1(-[c:28]2[c:29]([NH2:34])[cH:30][cH:31][cH:32][cH:33]2)[c:3]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[c:4]2[c:5]([nH:6]1)[cH:7][c:8]([C:10](=[O:11])[O:12][CH3:13])[s:9]2