HRID1114218

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID521142

2-Amino-6-fluorobenzoic acid

C7H6FNO2

结构：Cc1ccc(S(=O)(=O)n2c(C)cc3c(Cl)nc(Cl)nc32)cc1

HCID58398917

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2c(C)cc3c(Nc4cccc(F)c4C(=O)O)nc(Cl)nc32)cc1

HCID59441848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97839a08fce546c4bae1a44ab3ce247d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[CH:43]([OH:44])([CH3:45])[CH3:46].[Cl:1][c:2]1[n:3][c:4]([Cl:22])[c:5]2[c:6]([n:7]1)[n:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1)[c:9]([CH3:11])[cH:10]2.[NH2:23][c:24]1[c:25]([C:26](=[O:27])[OH:28])[c:29]([F:33])[cH:30][cH:31][cH:32]1>>[Cl:1][c:2]1[n:3][c:4]([NH:23][c:24]2[c:25]([C:26](=[O:27])[OH:28])[c:29]([F:33])[cH:30][cH:31][cH:32]2)[c:5]2[c:6]([n:7]1)[n:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1)[c:9]([CH3:11])[cH:10]2