HRID203130

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2777126

5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride

C5H6Cl2N2O2S

结构：Nc1cccc(Cc2nc3c([nH]2)c(=O)n(Cc2ccccc2F)c(=O)n3CC2CC2)c1

HCID69115150

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cccc(Cc2nc3c([nH]2)c(=O)n(Cc2ccccc2F)c(=O)n3CC2CC2)c1

HCID11758455

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b3fd7feb6074096b1c5226c05aba761
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

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