HRID2350667

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

HCID2734385

3-(Trifluoromethoxy)phenylboronic acid

C7H6BF3O3

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-c2cccc(OC(F)(F)F)c2)CC1

HCID59321745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b985d90815104259b7eeb2eba9b5b589
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:42](=[O:43])([O-:44])[O-:45].[CH3:36][N:37]([CH3:38])[C:39](=[O:40])[CH3:41].[Cl:15][c:16]1[c:17]([N:22]2[CH2:23][CH2:24][N:25]([CH2:28][c:29]3[c:30]([CH3:35])[n:31][n:32]([CH3:34])[cH:33]3)[CH2:26][CH2:27]2)[n:18][cH:19][cH:20][n:21]1.[F:1][C:2]([O:3][c:4]1[cH:5][c:6]([B:10]([OH:11])[OH:12])[cH:7][cH:8][cH:9]1)([F:13])[F:14].[K+:46].[K+:47].[OH2:125].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[F:1][C:2]([O:3][c:4]1[cH:5][c:6](-[c:16]2[c:17]([N:22]3[CH2:23][CH2:24][N:25]([CH2:28][c:29]4[c:30]([CH3:35])[n:31][n:32]([CH3:34])[cH:33]4)[CH2:26][CH2:27]3)[n:18][cH:19][cH:20][n:21]2)[cH:7][cH:8][cH:9]1)([F:13])[F:14]