HRID2330172

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

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2760897

Cyclopropylboronic acid

C3H7BO2

结构：N#Cc1cc(Br)c2oc(-c3ccc(C(=O)NCC4CCN(c5nccc(C(F)(F)F)n5)CC4)cc3)nc2c1

HCID68743081

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：N#Cc1cc(C2CC2)c2oc(-c3ccc(C(=O)NCC4CCN(c5nccc(C(F)(F)F)n5)CC4)cc3)nc2c1

HCID25172670

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de15f08175114fc69f08943cfa735ca3
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]([C:37]#[N:38])[cH:5][c:6]2[n:7][c:8](-[c:11]3[cH:12][cH:13][c:14]([C:15](=[O:16])[NH:17][CH2:18][CH:19]4[CH2:20][CH2:21][N:22]([c:25]5[n:26][cH:27][cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[n:30]5)[CH2:23][CH2:24]4)[cH:35][cH:36]3)[o:9][c:10]12.[C:45](=[O:46])([O-:47])[O-:48].[CH2:51]([CH2:52][O:53][CH3:54])[O:55][CH3:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH:39]1([B:42]([OH:43])[OH:44])[CH2:40][CH2:41]1.[K+:49].[K+:50].[cH:63]1[cH:64][cH:65][c:66]([P:67]([Pd:68]([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[P:107]([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)([c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[cH:138][cH:139]1>>[c:2]1([CH:39]2[CH2:40][CH2:41]2)[cH:3][c:4]([C:37]#[N:38])[cH:5][c:6]2[n:7][c:8](-[c:11]3[cH:12][cH:13][c:14]([C:15](=[O:16])[NH:17][CH2:18][CH:19]4[CH2:20][CH2:21][N:22]([c:25]5[n:26][cH:27][cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[n:30]5)[CH2:23][CH2:24]4)[cH:35][cH:36]3)[o:9][c:10]12