HRID308078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8021

Diethylamine

C4H11N

HCID11776

Triphenylphosphine

C18H15P

HCID24350

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

CuI

HCID57389499

1-Bromo-4-fluoro-2-methoxy-5-(propan-2-yl)benzene

C10H12BrFO

结构：C#CCN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID178456611

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)c(C(C)C)cc1C#CCN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID178492950

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c31319e838f84c8391fb4ae09686ef0e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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