HRID664064

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID571728

未命名化合物

HCID2736301

2-Bromo-1-ethylpyridinium

C7H9BrN+

HCID17832845

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(CNC(=O)c2cc(Cl)cnc2Oc2ccc(F)cc2)cc1

HCID57572311

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19a372ab1c6d4fac8c67a75a1fc6bf9f
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

[B-:39]([F:40])([F:41])([F:42])[F:43].[Br:44][c:45]1[cH:46][cH:47][cH:48][cH:49][n+:50]1[CH2:51][CH3:52].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cl:1][c:2]1[cH:3][n:4][c:5]([O:11][c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[Cl:53][CH2:54][Cl:55].[ClH:19].[NH2:20][CH2:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]1>>[Cl:1][c:2]1[cH:3][n:4][c:5]([O:11][c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[c:6]([C:7](=[O:9])[NH:20][CH2:21][c:22]2[cH:23][cH:24][c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]2)[cH:10]1