HRID2156866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID284147

3-Bromo-4-chlorotoluene

C7H6BrCl

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：Cc1ccc(Cl)c(-c2ccc(CN3CCOC(c4ccccc4)C3)cc2)c1

HCID23585059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c25965eba3a4069b14d1ed40789b79c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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.[Br:31][c:32]1[cH:33][c:34]([CH3:39])[cH:35][cH:36][c:37]1[Cl:38].[C:26](=[O:27])([OH:28])[O-:29].[CH3:22][C:23](=[O:24])[O-:25].[K+:21].[Na+:30].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[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:32]2[cH:33][c:34]([CH3:39])[cH:35][cH:36][c:37]2[Cl:38])[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