HRID1548574

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：CCOC(=O)CCCc1c[nH]c2c(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)cccc12

HCID59146155

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCc1cn(C)c2c(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)cccc12

HCID59146117

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12176aac88a94104bf9851141f8c94fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:40]1[N:41]2[CH2:42][CH2:43][N:44]([CH2:45][CH2:46]2)[CH2:47]1.[CH3:34][O:35][C:36]([O:37][CH3:38])=[O:39].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[cH:18][cH:19][cH:20][c:21]4[c:22]([CH2:26][CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[cH:23][nH:24][c:25]34)[n:15][o:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[cH:18][cH:19][cH:20][c:21]4[c:22]([CH2:26][CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[cH:23][n:24]([CH3:34])[c:25]34)[n:15][o:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]