HRID2311649

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID2778656

4-Chloro-3-fluorophenylboronic acid

C6H5BClFO2

HCID86641656

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：Cc1nn(C)cc1CN1CCN(c2nccnc2-c2ccc(Cl)c(F)c2)CC1

HCID59321763

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c1471022b9542758a53f5a610768b75
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:33](=[O:34])([O-:35])[O-:36].[CH3:39][N:40]([CH3:41])[C:42](=[O:43])[CH3:44].[Cl:12][c:13]1[c:14]([N:19]2[CH2:20][CH2:21][N:22]([CH2:25][c:26]3[c:27]([CH3:32])[n:28][n:29]([CH3:31])[cH:30]3)[CH2:23][CH2:24]2)[n:15][cH:16][cH:17][n:18]1.[Cl:1][c:2]1[c:3]([F:11])[cH:4][c:5]([B:8]([OH:9])[OH:10])[cH:6][cH:7]1.[K+:37].[K+:38].[OH2:45].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[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)[cH:121][cH:122]1>>[Cl:1][c:2]1[c:3]([F:11])[cH:4][c:5](-[c:13]2[c:14]([N:19]3[CH2:20][CH2:21][N:22]([CH2:25][c:26]4[c:27]([CH3:32])[n:28][n:29]([CH3:31])[cH:30]4)[CH2:23][CH2:24]3)[n:15][cH:16][cH:17][n:18]2)[cH:6][cH:7]1