HRID684183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID72879

Methanesulfonamide

CH5NO2S

HCID81531

Diisopropylethylamine

C8H19N

HCID5250894

未命名化合物

结构：Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1CSCCc1ccccc1

HCID51352351

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(-c2ccc(-c3ccc(C4(C(=O)NS(C)(=O)=O)CC4)cc3)cc2)c1CSCCc1ccccc1

HCID51352174

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11c09c7f095347079181f72be060c9d9
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

[C:35]([c:36]1[nH:37][cH:38][cH:39][n:40]1)([c:41]1[nH:42][cH:43][cH:44][n:45]1)=[O:46].[CH3:1][c:2]1[n:3][o:4][c:5](-[c:17]2[cH:18][cH:19][c:20](-[c:23]3[cH:24][cH:25][c:26]([C:29]4([C:32](=[O:33])[OH:34])[CH2:30][CH2:31]4)[cH:27][cH:28]3)[cH:21][cH:22]2)[c:6]1[CH2:7][S:8][CH2:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[CH3:47][S:48](=[O:49])(=[O:50])[NH2:51].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[O:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1>>[CH3:1][c:2]1[n:3][o:4][c:5](-[c:17]2[cH:18][cH:19][c:20](-[c:23]3[cH:24][cH:25][c:26]([C:29]4([C:32](=[O:34])[NH:51][S:48]([CH3:47])(=[O:49])=[O:50])[CH2:30][CH2:31]4)[cH:27][cH:28]3)[cH:21][cH:22]2)[c:6]1[CH2:7][S:8][CH2:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1