HRID2325286

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID57416086

2-Methoxy-4-(1-methylpiperidin-4-yl)aniline

C13H20N2O

结构：CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3cnc(O)nn23)c1

HCID178449976

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C2CCN(C)CC2)ccc1Nc1ncc2ccc(-c3cccc(S(=O)(=O)NC(C)(C)C)c3)n2n1

HCID66711936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8e58a6c9b7a4cd1bbc213a064949cce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[cH:16][cH:17][c:18]3[cH:19][n:20][c:21]([OH:24])[n:22][n:23]23)[cH:12][cH:13][cH:14]1.[CH3:34][O:35][c:36]1[c:37]([NH2:49])[cH:38][cH:39][c:40]([CH:42]2[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]2)[cH:41]1.[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[cH:16][cH:17][c:18]3[cH:19][n:20][c:21]([NH:49][c:37]4[c:36]([O:35][CH3:34])[cH:41][c:40]([CH:42]5[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]5)[cH:39][cH:38]4)[n:22][n:23]23)[cH:12][cH:13][cH:14]1