HRID92513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID12513746

2-Chloro-3-(methanesulfonyl)pyridine

C6H6ClNO2S

HCID69424206

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1cccnc1N1CCc2c(ncnc2Nc2ccc(C(F)(F)F)cn2)C1

HCID69425049

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c76eed3ad28450c855c5176d7b13797
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

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