HRID1132517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：CC(C)(C)OC(=O)NCCCCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1CCOc1ccccc1

HCID86626156

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCCc1nc2c[n+]([O-])c3cc(OCc4ccccc4)ccc3c2n1CCOc1ccccc1

HCID86626157

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-617accaa89ab492299edf7541634ed2d
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

[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][c:20]1[cH:21][cH:22][c:23]2[c:24]3[c:25]([cH:26][n:27][c:28]2[cH:29]1)[n:30][c:31]([CH2:42][CH2:43][CH2:44][CH2:45][NH:46][C:47]([O:48][C:49]([CH3:50])([CH3:51])[CH3:52])=[O:53])[n:32]3[CH2:33][CH2:34][O:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Cl:54][CH2:55][Cl:56].[OH:1][O:2][C:3]([c:4]1[cH:5][c:6]([Cl:7])[cH:8][cH:9][cH:10]1)=[O:11]>>[O-:1][n+:27]1[cH:26][c:25]2[c:24]([c:23]3[cH:22][cH:21][c:20]([O:19][CH2:12][c:13]4[cH:14][cH:15][cH:16][cH:17][cH:18]4)[cH:29][c:28]31)[n:32]([CH2:33][CH2:34][O:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[c:31]([CH2:42][CH2:43][CH2:44][CH2:45][NH:46][C:47]([O:48][C:49]([CH3:50])([CH3:51])[CH3:52])=[O:53])[n:30]2