HRID1125740

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID27518037

未命名化合物

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

HCID71539732

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cc1S(=O)(=O)NC(C)(C)CO

HCID11853037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa26bc93b4e947d7a57c0b4ab750edb7
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

[Br:26][c:27]1[cH:28][cH:29][c:30]([O:42][CH3:43])[c:31]([S:33](=[O:34])(=[O:35])[NH:36][C:37]([CH2:38][OH:39])([CH3:40])[CH3:41])[cH:32]1.[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]>>[C:1](#[C:2][c:27]1[cH:28][cH:29][c:30]([O:42][CH3:43])[c:31]([S:33](=[O:34])(=[O:35])[NH:36][C:37]([CH2:38][OH:39])([CH3:40])[CH3:41])[cH:32]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]