HRID2153356

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9845

Trifluoroacetic anhydride

C4F6O3

结构：Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(S(C)=O)cn2)cc1

HCID19689468

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(S)cn2)cc1

HCID19689529

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3a9e8e2c39d4e80a63060af6eef5b0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][cH:17][n:18][c:19]([O:28][CH2:29][CH2:30][O:31][c:32]3[n:33][cH:34][c:35]([S:38]([CH3:39])=[O:40])[cH:36][n:37]3)[c:20]2-[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[cH:9][cH:10]1.[CH2:54]([Cl:55])[Cl:56].[F:41][C:42]([F:43])([F:44])[C:45]([O:46][C:47](=[O:48])[C:49]([F:50])([F:51])[F:52])=[O:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][cH:17][n:18][c:19]([O:28][CH2:29][CH2:30][O:31][c:32]3[n:33][cH:34][c:35]([SH:38])[cH:36][n:37]3)[c:20]2-[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[cH:9][cH:10]1