HRID138087

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID18170

Benzyl thiocyanate

C8H7NS

结构：N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(Br)c1S(=O)(=O)C(F)(F)F

HCID16727054

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(SCc2ccccc2)c1S(=O)(=O)C(F)(F)F

HCID19802861

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da109b1bdeb1488d91d7080ddd8773e8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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