HRID1123249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8085

2-Methyl-N-(2-methylpropyl)-1-propanamine

C8H19N

结构：O=C1c2c(Cl)cccc2-n2cnc(-c3noc(CCl)n3)c2C2CCN12

HCID178515119

13-chloro-5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one

C16H11Cl2N5O2

PRODUCTS

生成物

结构：CC(C)CN(Cc1nc(-c2ncn3c2C2CCN2C(=O)c2c(Cl)cccc2-3)no1)CC(C)C

HCID178449004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9fd1ec07a7af474296ea54e2a6e87997
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

[CH2:26]([CH:27]([CH3:28])[CH3:29])[NH:30][CH2:31][CH:32]([CH3:33])[CH3:34].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[C:8](=[O:25])[N:9]1[CH:10]([c:11]3[n:12]-2[cH:13][n:14][c:15]3-[c:16]2[n:17][o:18][c:19]([CH2:21][Cl:22])[n:20]2)[CH2:23][CH2:24]1>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[C:8](=[O:25])[N:9]1[CH:10]([c:11]3[n:12]-2[cH:13][n:14][c:15]3-[c:16]2[n:17][o:18][c:19]([CH2:21][N:30]([CH2:26][CH:27]([CH3:28])[CH3:29])[CH2:31][CH:32]([CH3:33])[CH3:34])[n:20]2)[CH2:23][CH2:24]1