HRID124110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6212

Chloroform

CHCl3

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2782670

2-Chloro-5-(trifluoromethyl)phenylboronic acid

C7H5BClF3O2

HCID22125219

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)CCC2(C)c3ccc(-c4cc(C(F)(F)F)ccc4Cl)cc3CCC12

HCID178481418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe1b17d334f64895bbf2ed6f7598cff7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:1][N:2]1[C:3](=[O:18])[CH2:4][CH2:5][C:6]2([CH3:17])[c:7]3[c:8]([cH:12][c:13]([Br:16])[cH:14][cH:15]3)[CH2:9][CH2:10][CH:11]12.[CH:44]([Cl:45])([Cl:46])[Cl:47].[Cl:19][c:20]1[c:21]([B:30]([OH:31])[OH:32])[cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]1.[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[Pd:48].[c:106]1([P:107]([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][cH:122][cH:123][cH:124]1.[c:49]1([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)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([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)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[c:87]1([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)[cH:101][cH:102][cH:103][cH:104][cH:105]1>>[CH3:1][N:2]1[C:3](=[O:18])[CH2:4][CH2:5][C:6]2([CH3:17])[c:7]3[c:8]([cH:12][c:13](-[c:21]4[c:20]([Cl:19])[cH:25][cH:24][c:23]([C:26]([F:27])([F:28])[F:29])[cH:22]4)[cH:14][cH:15]3)[CH2:9][CH2:10][CH:11]12