HRID2314910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID62406

未命名化合物

HCID120273

N-Iodosuccinimide

C4H4INO2

结构：Cc1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1

HCID11619625

未命名化合物

PRODUCTS

生成物

结构：Cc1c(I)cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1

HCID11519933

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3d2391d2658455881f2fdd4b019b8a5
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

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