HRID679953

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

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

HCID22499802

未命名化合物

HCID53403618

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OC(=O)C=C(CC(O)(C#Cc2ccc(C(C)(C)C#N)c(F)c2)C2CCCC2)O1

HCID58762654

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2667f964130946cda7757abe4f05c1bb
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][c:4]([F:13])[c:5]([C:8]([C:9]#[N:10])([CH3:11])[CH3:12])[cH:6][cH:7]1.[CH:14]1([C:19]([CH2:20][C:21]2=[CH:22][C:23](=[O:29])[O:24][C:25]([CH3:27])([CH3:28])[O:26]2)([C:30]#[CH:31])[OH:32])[CH2:15][CH2:16][CH2:17][CH2:18]1.[CH:33]([NH:34][CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl-:45].[Cu:88][I:89].[NH4+:46].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[Pd:47]([Cl:48])[Cl:49].[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1>>[c:2]1([C:31]#[C:30][C:19]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)([CH2:20][C:21]2=[CH:22][C:23](=[O:29])[O:24][C:25]([CH3:27])([CH3:28])[O:26]2)[OH:32])[cH:3][c:4]([F:13])[c:5]([C:8]([C:9]#[N:10])([CH3:11])[CH3:12])[cH:6][cH:7]1