HRID680056

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10700

2-Thiophenecarboxylic acid

C5H4O2S

结构：CCNCC(O)(CNc1cc(C)cc2c1cnn2-c1ccc(F)cc1)C(F)(F)F

HCID59324145

未命名化合物

PRODUCTS

生成物

结构：CCN(CC(O)(CNc1cc(C)cc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1cccs1

HCID59324168

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a27d5b152b2349a8961b34780a27197e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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