HRID121180

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID61052651

未命名化合物

结构：C#Cc1cnn2c(C(F)(F)F)cc(-c3ccc(Cl)c(C)c3)nc12

HCID86608053

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cc(C(F)(F)F)n3ncc(C#Cc4ncc(S(=O)(=O)NC(C)(C)CO)s4)c3n2)ccc1Cl

HCID67000961

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19a343ba4fc645b98ce620ed56f090b3
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

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