HRID320568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID61052651

未命名化合物

反应SMILES：C#Cc1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12

HCID71539732

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(CO)NS(=O)(=O)c1cnc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)s1

HCID86608033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-88580c7b14374b40b120cdd2ae2cf8bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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