HRID1539984

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID81531

Diisopropylethylamine

C8H19N

HCID2776364

1,5-Dimethyl-1H-Pyrazole-3-Carbonyl Chloride

C6H7ClN2O

结构：CS(=O)(=O)c1ccc(Oc2ncnc3c2cnn3C2CCNCC2)cc1

HCID57964961

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N2CCC(n3ncc4c(Oc5ccc(S(C)(=O)=O)cc5)ncnc43)CC2)nn1C

HCID57964929

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8af9fd9571a47209e662802dcda6136
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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