HRID93238

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10214710

未命名化合物

结构：CCc1c(-c2cn(-c3cc(C(=O)OC)ccc3C)cn2)cnn1-c1ccccc1

HCID58861445

未命名化合物

PRODUCTS

生成物

结构：CCc1c(-c2cn(-c3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)ccc3C)cn2)cnn1-c1ccccc1

HCID21097165

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98f059ad637b44f1af7223771a2c7c94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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