HRID1574011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

HCID10749367

未命名化合物

结构：Cc1ccc(CC2CNCCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C

HCID18703556

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

2 次

结构：Cc1ccc(CC2CN(CC#Cc3cccnc3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C

HCID178424585

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-864ddec2678b49dba7fc08d93b342884
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[ClH:32].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:14][c:15]3[cH:16][c:17]([CH3:22])[c:18]([CH3:21])[cH:19][cH:20]3)[CH2:10][NH:11][CH2:12][CH2:13]2)[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]1)([F:30])[F:31].[I-:44].[K+:43].[OH2:45].[n:33]1[cH:34][c:35]([C:39]#[C:40][CH2:41][Cl:42])[cH:36][cH:37][cH:38]1>>[ClH:32].[ClH:42].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:14][c:15]3[cH:16][c:17]([CH3:22])[c:18]([CH3:21])[cH:19][cH:20]3)[CH2:10][N:11]([CH2:41][C:40]#[C:39][c:35]3[cH:34][n:33][cH:38][cH:37][cH:36]3)[CH2:12][CH2:13]2)[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]1)([F:30])[F:31]