HRID937484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID11667

Ethanesulfonyl chloride

C2H5ClO2S

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CC(C)(C)OC(=O)N1CC(c2nc(-c3ccc(F)c(NC(=O)c4cnc5ccccn45)c3)no2)C1

HCID71281163

未命名化合物

PRODUCTS

产物

反应SMILES：CCS(=O)(=O)N1CC(c2nc(-c3ccc(F)c(NC(=O)c4cnc5ccccn45)c3)no2)C1

HCID71281188

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-967ff970a3bc4e91b107dc3afe0b33c1
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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