HRID934906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1CC(C)(C)NS(C)(=O)=O

HCID67051174

未命名化合物

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

HCID86626156

未命名化合物

PRODUCTS

生成物

结构：CCOCc1nc2c[n+]([O-])c3cc(OCc4ccccc4)ccc3c2n1CC(C)(C)NS(C)(=O)=O

HCID67051025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37a2812f1cba4907bdea4fa47fe2a163
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]2[c:13]3[c:14]([cH:15][n:16][c:17]2[cH:18]1)[n:19][c:20]([CH2:31][O:32][CH2:33][CH3:34])[n:21]3[CH2:22][C:23]([CH3:24])([CH3:25])[NH:26][S:27](=[O:28])(=[O:29])[CH3:30].[CH2:35]([O:42][c:36]1[cH:37][cH:38][c:39]2[c:40]3[n:41]([CH2:43][CH2:44][O:45][c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[c:52]([CH2:53][CH2:54][CH2:55][CH2:56][NH:57][C:58](=[O:59])[O:60][C:61]([CH3:62])([CH3:63])[CH3:64])[n:65][c:66]3[cH:67][n:68][c:69]2[cH:70]1)[c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]2[c:13]3[c:14]([cH:15][n+:16]([O-:42])[c:17]2[cH:18]1)[n:19][c:20]([CH2:31][O:32][CH2:33][CH3:34])[n:21]3[CH2:22][C:23]([CH3:24])([CH3:25])[NH:26][S:27](=[O:28])(=[O:29])[CH3:30]