HRID104617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID677042

[2-(4-Chloro-benzoylamino)-thiazol-4-yl]-acetic acid

C12H9ClN2O3S

结构：CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(N)c(F)c1

HCID10853284

4'-Amino-3'-fluoro-biphenyl-2-sulfonic acid tert-butylamide

C16H19FN2O2S

PRODUCTS

生成物

结构：CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)c(F)c1

HCID59698892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82ec022ac12e4761926ca382b6e6e074
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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