HRID1206256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID2734337

3,4-Difluorophenylboronic acid

C6H5BF2O2

结构：FC(F)(F)c1cccnc1N1CCN(c2nc3ccc(Br)cc3[nH]2)CC1

HCID11597064

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：Fc1ccc(-c2ccc3nc(N4CCN(c5ncccc5C(F)(F)F)CC4)[nH]c3c2)cc1F

HCID10434329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65b32542c05644398f1c754575460d6f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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