HRID124544

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

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

CuI

HCID4348295

1-Ethynyl-4-(trifluoromethyl)benzene

C9H5F3

结构：COC(=O)COc1ccc(OCC#Cc2cc(Br)cc(Br)c2)cc1C

HCID67157962

未命名化合物

PRODUCTS

生成物

结构：COC(=O)COc1ccc(OCC#Cc2cc(Br)cc(C#Cc3ccc(C(F)(F)F)cc3)c2)cc1C

HCID67159034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-361779d99ac54a83bf0d2789672b23f7
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

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