HRID291073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID81531

Diisopropylethylamine

C8H19N

HCID57826629

未命名化合物

结构：NC(Cc1ccccc1C(F)(F)F)CN1C(=O)c2ccccc2C1=O

HCID178510762

未命名化合物

PRODUCTS

生成物

结构：COc1sc(C(=O)NC(Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)cc1-c1ccnn1C

HCID178494435

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e8cff9c627046658f329a7b6cd9d318
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

[CH3:1][O:2][c:3]1[c:4](-[c:11]2[cH:12][cH:13][n:14][n:15]2[CH3:16])[cH:5][c:6]([C:8](=[O:9])[OH:10])[s:7]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[CH:51]([Cl:52])([Cl:53])[Cl:54].[NH2:17][CH:18]([CH2:19][N:20]1[C:21](=[O:30])[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[C:28]1=[O:29])[CH2:31][c:32]1[c:33]([C:38]([F:39])([F:40])[F:41])[cH:34][cH:35][cH:36][cH:37]1>>[CH3:1][O:2][c:3]1[c:4](-[c:11]2[cH:12][cH:13][n:14][n:15]2[CH3:16])[cH:5][c:6]([C:8](=[O:10])[NH:17][CH:18]([CH2:19][N:20]2[C:21](=[O:30])[c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[C:28]2=[O:29])[CH2:31][c:32]2[c:33]([C:38]([F:39])([F:40])[F:41])[cH:34][cH:35][cH:36][cH:37]2)[s:7]1