HRID950035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID61668

Boronic acid

H3BO2

HCID223087

Benzene, 1-chloro-3-fluoro-

C6H4ClF

结构：COc1ccc(CN2Cc3c(Br)cc(CN4CC5CC4CN5C(C)C)cc3N(c3c(Cl)cccc3Cl)C2=O)cc1

HCID22648185

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：COc1ccc(CN2Cc3c(-c4ccc(F)cc4Cl)cc(CN4CC5CC4CN5C(C)C)cc3N(c3c(Cl)cccc3Cl)C2=O)cc1

HCID22647878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-410e1f714bd644e8ae6bba006341f467
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[BH:41]([OH:42])[OH:43].[Br:1][c:2]1[c:3]2[c:8]([cH:9][c:10]([CH2:12][N:13]3[CH:14]4[CH2:15][N:16]([CH:20]([CH3:21])[CH3:22])[CH:17]([CH2:18]3)[CH2:19]4)[cH:11]1)[N:7]([c:23]1[c:24]([Cl:30])[cH:25][cH:26][cH:27][c:28]1[Cl:29])[C:6](=[O:31])[N:5]([CH2:32][c:33]1[cH:34][cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]1)[CH2:4]2.[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH3:65][CH2:66][OH:67].[Cl:44][c:45]1[cH:46][cH:47][cH:48][c:49]([F:51])[cH:50]1.[Na+:52].[Na+:53].[O-:54][C:55](=[O:56])[O-:57].[cH:68]1[cH:69][cH:70][c:71]([P:72]([Pd:73]([P:74]([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)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([P:93]([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)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[P:112]([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)[c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[cH:143][cH:144]1>>[c:2]1(-[c:46]2[c:45]([Cl:44])[cH:50][c:49]([F:51])[cH:48][cH:47]2)[c:3]2[c:8]([cH:9][c:10]([CH2:12][N:13]3[CH:14]4[CH2:15][N:16]([CH:20]([CH3:21])[CH3:22])[CH:17]([CH2:18]3)[CH2:19]4)[cH:11]1)[N:7]([c:23]1[c:24]([Cl:30])[cH:25][cH:26][cH:27][c:28]1[Cl:29])[C:6](=[O:31])[N:5]([CH2:32][c:33]1[cH:34][cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]1)[CH2:4]2