HRID94434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

结构：Cc1cccc2c1N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2

HCID66901749

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Br)ccc2c1N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2

HCID66901730

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d5f0fcb1fc6436c83c17a3e3913dd9b
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

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