HRID1141948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID19744223

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

结构：COc1ccc(F)c(Cl)c1C(C)c1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12

HCID178491821

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(F)c(Cl)c1C(C)c1c[nH]c2ncc(-c3c(C)nn(C)c3Cl)cc12

HCID76167607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26925d05c7ee42bb915dcac941e8f428
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:9])[n:4][n:5]([CH3:8])[c:6]1[Cl:7].[C:40](=[O:41])([O-:42])[O-:43].[Cl:10][c:11]1[c:12]([CH:20]([CH3:21])[c:22]2[cH:23][nH:24][c:25]3[n:26][cH:27][c:28]([B:31]4[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]4)[cH:29][c:30]23)[c:13]([O:18][CH3:19])[cH:14][cH:15][c:16]1[F:17].[K+:44].[K+:45].[O:123]1[CH2:124][CH2:125][O:126][CH2:127][CH2:128]1.[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>>[c:2]1(-[c:28]2[cH:27][n:26][c:25]3[nH:24][cH:23][c:22]([CH:20]([c:12]4[c:11]([Cl:10])[c:16]([F:17])[cH:15][cH:14][c:13]4[O:18][CH3:19])[CH3:21])[c:30]3[cH:29]2)[c:3]([CH3:9])[n:4][n:5]([CH3:8])[c:6]1[Cl:7]