HRID103894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID614

DL-Proline

C5H9NO2

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24350

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

CuI

HCID15508373

未命名化合物

HCID86635504

未命名化合物

PRODUCTS

生成物

结构：CC(=Cn1c2c(c3cc(Cl)ccc31)CCN(C)C2)c1ccc(F)c(F)c1

HCID66911656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-549f5a9089174581abf8dfdaafb34ad4
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

[Br:32][CH:33]=[C:34]([CH3:35])[c:36]1[cH:37][c:38]([F:43])[c:39]([F:42])[cH:40][cH:41]1.[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([nH:7][c:8]2[cH:9][cH:10]1)[CH2:11][N:12]([CH3:15])[CH2:13][CH2:14]3.[Cu:49][I:50].[K+:29].[K+:30].[K+:31].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH:16][C:17]([CH:18]1[NH:19][CH2:20][CH2:21][CH2:22]1)=[O:23].[P:24]([O-:25])([O-:26])([O-:27])=[O:28]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([n:7]([CH:33]=[C:34]([CH3:35])[c:36]4[cH:37][c:38]([F:43])[c:39]([F:42])[cH:40][cH:41]4)[c:8]2[cH:9][cH:10]1)[CH2:11][N:12]([CH3:15])[CH2:13][CH2:14]3