HRID1209087

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID16785597

3-(Aminomethyl)-N-methylbenzene-1-sulfonamide

C8H12N2O2S

HCID45073364

2-(2,5-Difluorophenyl)pyrimidine-5-carboxylic acid

C11H6F2N2O2

PRODUCTS

生成物

结构：CNS(=O)(=O)c1cccc(CNC(=O)c2cnc(-c3cc(F)ccc3F)nc2)c1

HCID59805836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa707411ad5c43f7884e7c7c1fe590ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:27][NH:28][S:29](=[O:30])(=[O:31])[c:32]1[cH:33][c:34]([CH2:35][NH2:36])[cH:37][cH:38][cH:39]1.[CH:18]([N:19]([CH:20]([CH3:21])[CH3:22])[CH2:23][CH3:24])([CH3:25])[CH3:26].[F:1][c:2]1[c:3](-[c:9]2[n:10][cH:11][c:12]([C:15](=[O:16])[OH:17])[cH:13][n:14]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1.[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[F:1][c:2]1[c:3](-[c:9]2[n:10][cH:11][c:12]([C:15](=[O:17])[NH:36][CH2:35][c:34]3[cH:33][c:32]([S:29]([NH:28][CH3:27])(=[O:30])=[O:31])[cH:39][cH:38][cH:37]3)[cH:13][n:14]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1