HRID2138608

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID24593

Copper(1+) bromide

BrCu

HCID69823

1-Tetradecyne

C14H26

结构：CCOC(=O)C(=O)N(Cc1ccc(Br)cc1)Cc1ccc(C(F)(F)F)cc1

HCID67186610

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCCC#Cc1ccc(CN(Cc2ccc(C(F)(F)F)cc2)C(=O)C(=O)OCC)cc1

HCID67187897

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2cbd759f4c2453f8df23e8ed2e6de10
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

[CH2:1]([CH3:2])[O:3][C:4]([C:5](=[O:6])[N:7]([CH2:8][c:9]1[cH:10][cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]1)[CH2:19][c:20]1[cH:21][cH:22][c:23]([Br:26])[cH:24][cH:25]1)=[O:27].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH:28]#[C:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41].[ClH:49].[Cu:50][Br:51].[Pd:128].[c:109]1([P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124][cH:125][cH:126][cH:127]1.[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[CH2:1]([CH3:2])[O:3][C:4]([C:5](=[O:6])[N:7]([CH2:8][c:9]1[cH:10][cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]1)[CH2:19][c:20]1[cH:21][cH:22][c:23]([C:28]#[C:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])[cH:24][cH:25]1)=[O:27]