HRID139601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID2760919

Cyclopropanesulfonyl chloride

C3H5ClO2S

结构：CC(N)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1

HCID72258715

未命名化合物

PRODUCTS

生成物

结构：CC(NS(=O)(=O)C1CC1)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1

HCID74372187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f92be397c85447b4b2534f8802259940
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

[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:56][C:57]#[N:58].[CH:28]1([S:31](=[O:32])(=[O:33])[Cl:34])[CH2:29][CH2:30]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([O:17][CH:18]([CH:19]([CH3:20])[NH2:21])[c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1.[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41].[OH2:55].[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([O:17][CH:18]([CH:19]([CH3:20])[NH:21][S:31]([CH:28]4[CH2:29][CH2:30]4)(=[O:32])=[O:33])[c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1