HRID141256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

结构：CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)C(C)c1nc2ccc(F)cn2c(=O)c1Br

HCID58796903

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)C(C)c1nc2ccc(F)cn2c(=O)c1-c1ccc(C#N)cc1

HCID16040357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ba69fd9873549d6b1222dd556b5eb01
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]([CH:14]([CH3:15])[N:16]([C:17]([CH2:18][c:19]2[cH:20][c:21]([C:26]([F:27])([F:28])[F:29])[c:22]([F:25])[cH:23][cH:24]2)=[O:30])[CH2:31][CH2:32][S:33](=[O:34])(=[O:35])[CH2:36][CH3:37])[n:4][c:5]2[n:6]([c:7]1=[O:8])[cH:9][c:10]([F:13])[cH:11][cH:12]2.[C:38](#[N:39])[c:40]1[cH:41][cH:42][c:43]([B:46]([OH:47])[OH:48])[cH:44][cH:45]1.[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54]>>[c:2]1(-[c:43]2[cH:42][cH:41][c:40]([C:38]#[N:39])[cH:45][cH:44]2)[c:3]([CH:14]([CH3:15])[N:16]([C:17]([CH2:18][c:19]2[cH:20][c:21]([C:26]([F:27])([F:28])[F:29])[c:22]([F:25])[cH:23][cH:24]2)=[O:30])[CH2:31][CH2:32][S:33](=[O:34])(=[O:35])[CH2:36][CH3:37])[n:4][c:5]2[n:6]([c:7]1=[O:8])[cH:9][c:10]([F:13])[cH:11][cH:12]2