HRID162842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10700

2-Thiophenecarboxylic acid

C5H4O2S

结构：CCCNCC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F

HCID59324137

未命名化合物

PRODUCTS

生成物

结构：CCCN(CC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1cccs1

HCID59324167

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e788500c3854a88a27faced8ede7477
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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