HRID203133

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID2736421

4-Bromo-2-(Trifluoromethoxy)Benzene-1-Sulfonyl Chloride

C7H3BrClF3O3S

结构：CN(C)c1nc(NCc2ccc(NC(=O)OCc3ccccc3)cc2)nc2ccccc12

HCID68847095

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1nc(NCc2ccc(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)cc2)nc2ccccc12

HCID57714411

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d97097f1cf74a389be8e76d835d14c7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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