HRID150151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID12021

Dimethyl carbonate

C3H6O3

结构：CC(C)Oc1ncc(-c2nc(-c3ccc4c(CCC(=O)O)c[nH]c4c3)no2)cc1Cl

HCID44546861

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ncc(-c2nc(-c3ccc4c(CCC(=O)O)cn(C)c4c3)no2)cc1Cl

HCID44547017

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a01da9c73ef7420aa1618738a96b382d
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

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