HRID680354

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID522627

1-Ethynyl-4-fluorobenzene

C8H5F

结构：CC1(C)OC(=O)c2ccc(N(CCCC3CCCC3)C(=O)c3ccc(Br)cc3)cc2O1

HCID57554570

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OC(=O)c2ccc(N(CCCC3CCCC3)C(=O)c3ccc(C#Cc4ccc(F)cc4)cc3)cc2O1

HCID11562730

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d7c483ed1e840cc868bc0a3e520681a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]([c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:21]2)[O:14][C:15]([CH3:19])([CH3:20])[O:16][C:17]3=[O:18])[CH2:22][CH2:23][CH2:24][CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29]2)[cH:30][cH:31]1.[CH3:65][CH2:66][O:67][CH2:68][CH3:69].[F:32][c:33]1[cH:34][cH:35][c:36]([C:39]#[CH:40])[cH:37][cH:38]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[c:2]1([C:40]#[C:39][c:36]2[cH:35][cH:34][c:33]([F:32])[cH:38][cH:37]2)[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]([c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:21]2)[O:14][C:15]([CH3:19])([CH3:20])[O:16][C:17]3=[O:18])[CH2:22][CH2:23][CH2:24][CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29]2)[cH:30][cH:31]1