HRID1550242

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID12309

1-Pentyne

C5H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID24290

未命名化合物

HCID28179

Fluoride

F-

结构：CCC(C)C(CN(C(=O)C1CC1c1cccc(F)n1)c1ccc(Br)cc1)NC(=O)OC(C)(C)C

HCID178444835

未命名化合物

PRODUCTS

生成物

结构：CCCC#Cc1ccc(N(CC(NC(=O)OC(C)(C)C)C(C)CC)C(=O)C2CC2c2cccc(F)n2)cc1

HCID178442169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed398e814b2f47b1a4f65db98e6bdf0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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