HRID1147501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

结构：CC(C)(C)OC(=O)NC1(CNc2ccc(Br)cc2)CCCC1

HCID67114178

未命名化合物

HCID67436442

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(CN(C(=O)C2CC2c2cccc(F)n2)c2ccc(Br)cc2)CCCC1

HCID67114201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5991b3af5ac411e9f582026702296c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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