HRID664142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID2734338

3,5-Difluorophenylboronic acid

C6H5BF2O2

HCID51041427

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：Cc1c(-c2cc(F)cc(F)c2)c(F)c2oc(C3CC3)nc2c1C#N

HCID68585428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b21830c5f0274702b6ecee4888da72b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[c:3]([F:17])[c:4]2[c:5]([n:6][c:7]([CH:9]3[CH2:10][CH2:11]3)[o:8]2)[c:12]([C:15]#[N:16])[c:13]1[CH3:14].[CH2:39]1[O:40][CH2:41][CH2:42][O:43][CH2:44]1.[Cl-:37].[F:18][c:19]1[cH:20][c:21]([B:26]([OH:27])[OH:28])[cH:22][c:23]([F:25])[cH:24]1.[K+:34].[K+:35].[K+:36].[NH4+:38].[P:29]([O-:30])([O-:31])([O-:32])=[O:33].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([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)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([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)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[c:2]1(-[c:21]2[cH:20][c:19]([F:18])[cH:24][c:23]([F:25])[cH:22]2)[c:3]([F:17])[c:4]2[c:5]([n:6][c:7]([CH:9]3[CH2:10][CH2:11]3)[o:8]2)[c:12]([C:15]#[N:16])[c:13]1[CH3:14]