HRID157922

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID78392

2,6-Dichlorobenzoyl chloride

C7H3Cl3O

HCID81531

Diisopropylethylamine

C8H19N

结构：NCC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F

HCID59487494

未命名化合物

PRODUCTS

生成物

结构：Nc1c(C(=O)NCC(O)(CNC(=O)c2c(Cl)cccc2Cl)C(F)(F)F)cnn1-c1ccc(F)cc1

HCID23649465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c049218610384a338b57b612652d8cd1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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