HRID1205579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2724559

3-Bromo-2-chlorothiophene

C4H2BrClS

HCID57849504

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：Clc1sccc1-c1ccc(CN2CCOC(c3ccccc3)C2)cc1

HCID23585105

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2664322ee0f4499ebdff3d25749c4e98
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[cH:3][cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH:9]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[O:10][CH2:11][CH2:12]2)[cH:19][cH:20]1.[CH3:22][C:23](=[O:24])[O-:25].[Cl:32][c:33]1[s:34][cH:35][cH:36][c:37]1[Br:38].[K+:21].[Na+:26].[Na+:27].[O-:28][C:29](=[O:30])[O-:31].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1>>[c:2]1(-[c:37]2[c:33]([Cl:32])[s:34][cH:35][cH:36]2)[cH:3][cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH:9]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[O:10][CH2:11][CH2:12]2)[cH:19][cH:20]1