HRID678546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)Oc1ccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

HCID58769998

未命名化合物

HCID58770832

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc(NC(=O)N2CCC(c3ncnc4ccc(I)cc34)CC2)cc1

HCID58770660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-521aba2a386d4961aa642b5d36569a09
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[Cl:50][CH:51]([Cl:52])[Cl:53].[I:1][c:2]1[cH:3][c:4]2[c:5]([CH:12]3[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)[n:6][cH:7][n:8][c:9]2[cH:10][cH:11]1.[N+:18]([c:19]1[cH:20][cH:21][c:22]([O:27][C:28](=[O:23])[NH:29][c:30]2[cH:31][cH:32][c:33]([O:36][CH:37]([CH3:38])[CH3:39])[cH:34][cH:35]2)[cH:24][cH:25]1)([O-:26])=[O:40]>>[I:1][c:2]1[cH:3][c:4]2[c:5]([CH:12]3[CH2:13][CH2:14][N:15]([C:28](=[O:27])[NH:29][c:30]4[cH:31][cH:32][c:33]([O:36][CH:37]([CH3:38])[CH3:39])[cH:34][cH:35]4)[CH2:16][CH2:17]3)[n:6][cH:7][n:8][c:9]2[cH:10][cH:11]1