HRID2329216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2734369

[4-(Methoxycarbonyl)phenyl]boronic acid

C8H9BO4

结构：CC(C)(C)OC(=O)N1CCC(N2CCC(Cc3c(Cl)cc(OS(=O)(=O)C(F)(F)F)cc3Cl)C2=O)CC1

HCID86629121

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)c1ccc(-c2cc(Cl)c(CC3CCN(C4CCN(C(=O)OC(C)(C)C)CC4)C3=O)c(Cl)c2)cc1

HCID66671552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7af0490c77ce441e9bd728b324b1830c
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]2[C:15](=[O:36])[CH:16]([CH2:19][c:20]3[c:21]([Cl:35])[cH:22][c:23]([O:27][S:28]([C:29]([F:30])([F:31])[F:32])(=[O:33])=[O:34])[cH:24][c:25]3[Cl:26])[CH2:17][CH2:18]2)[CH2:12][CH2:13]1.[CH3:37][O:38][C:39](=[O:40])[c:41]1[cH:42][cH:43][c:44]([B:47]([OH:48])[OH:49])[cH:45][cH:46]1.[CH3:56][O:57][CH2:58][CH2:59][O:60][CH3:61].[K+:50].[K+:51].[O-:52][C:53]([O-:54])=[O:55].[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]2[C:15](=[O:36])[CH:16]([CH2:19][c:20]3[c:21]([Cl:35])[cH:22][c:23](-[c:44]4[cH:43][cH:42][c:41]([C:39]([O:38][CH3:37])=[O:40])[cH:46][cH:45]4)[cH:24][c:25]3[Cl:26])[CH2:17][CH2:18]2)[CH2:12][CH2:13]1