HRID1125768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2774589

4-Fluoro-3-methylbenzoyl chloride

C8H6ClFO

结构：CC(C)C(NCC(C)(C)N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

HCID21097057

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C2=NC(C)(C)CN2C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)ccc1F

HCID21097023

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3534ec742cde481187e4bbcdc6eb6cef
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

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