HRID1227555

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

HCID31275

1,4-Dioxane

C4H8O2

HCID574072

Trimethylboroxine

C3H9B3O3

结构：O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(Br)nnc2C1

HCID66599221

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：Cc1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2

HCID66599286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0afc4afc80914de8a2fee9bbcff10e48
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:1][c:2]1[n:3][n:4][c:5]2[n:6]1[CH2:7][CH2:8][N:9]([C:11](=[O:12])[c:13]1[c:14]([Cl:23])[c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]1)[CH2:10]2.[C:33](=[O:34])([O-:35])[O-:36].[CH2:39]1[O:40][CH2:41][CH2:42][O:43][CH2:44]1.[CH3:24][B:25]1[O:26][B:27]([CH3:28])[O:29][B:30]([CH3:31])[O:32]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>>[c:2]1([CH3:24])[n:3][n:4][c:5]2[n:6]1[CH2:7][CH2:8][N:9]([C:11](=[O:12])[c:13]1[c:14]([Cl:23])[c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]1)[CH2:10]2