HRID142063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID4206806

1-Ethynyl-3,5-difluorobenzene

C8H4F2

HCID45489892

tert-Butyl 4-(bromomethylidene)piperidine-1-carboxylate

C11H18BrNO2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(=CC#Cc2cc(F)cc(F)c2)CC1

HCID86627341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b615e826cc8d42d4ae787149f7f5bf77
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][CH:2]=[C:3]1[CH2:4][CH2:5][N:6]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:7][CH2:8]1.[C:16](#[CH:17])[c:18]1[cH:19][c:20]([F:25])[cH:21][c:22]([F:24])[cH:23]1.[Cu:103][I:104].[OH2:105].[Pd:102].[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1.[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1.[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1.[c:83]1([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[cH:97][cH:98][cH:99][cH:100][cH:101]1>>[CH:2](=[C:3]1[CH2:4][CH2:5][N:6]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:7][CH2:8]1)[C:17]#[C:16][c:18]1[cH:19][c:20]([F:25])[cH:21][c:22]([F:24])[cH:23]1