HRID203331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID4837

Piperazine

C4H10N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

结构：CC1CCc2ccccc2C1Nc1cc(F)ccc1S(C)(=O)=O

HCID58707335

未命名化合物

PRODUCTS

生成物

结构：CC1CCc2ccccc2C1Nc1cc(N2CCNCC2)ccc1S(C)(=O)=O

HCID58707267

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a2f2d74339d4833806106fe36edccbf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:24]1[CH2:25][NH:26][CH2:27][CH2:28][NH:29]1.[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[F:1][c:2]1[cH:3][cH:4][c:5]([S:20](=[O:21])(=[O:22])[CH3:23])[c:6]([NH:8][CH:9]2[CH:10]([CH3:19])[CH2:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]32)[cH:7]1.[OH2:39]>>[c:2]1([N:26]2[CH2:25][CH2:24][NH:29][CH2:28][CH2:27]2)[cH:3][cH:4][c:5]([S:20](=[O:21])(=[O:22])[CH3:23])[c:6]([NH:8][CH:9]2[CH:10]([CH3:19])[CH2:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]32)[cH:7]1