HRID88379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCCCC(N)(COCc1cc(C(=O)NC(C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)Cc1ccccc1

HCID11192368

未命名化合物

HCID67318234

β-Amino-β-ethylbenzenepropanol

C11H17NO

结构：CC(NC(=O)c1cc(CBr)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1

HCID73241929

未命名化合物

PRODUCTS

生成物

结构：CCC(N)(COCc1cc(C(=O)NC(C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)Cc1ccccc1

HCID72749161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8463bc2b61cd47e4959f9e0cf78c7866
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][N:2]([c:3]1[cH:4][c:5]([C:11]([NH:12][CH:13]([c:14]2[cH:15][cH:16][c:17]([F:18])[cH:19][cH:20]2)[CH3:21])=[O:22])[cH:6][c:7]([CH2:8][Br:9])[cH:10]1)[S:23]([CH3:24])(=[O:25])=[O:26].[NH2:27][C:28]([CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)([CH2:36][CH3:37])[CH2:38][OH:39].[NH2:40][C:41]([CH2:42][O:43][CH2:44][c:45]1[cH:46][c:47]([C:48](=[O:49])[NH:50][CH:51]([CH3:52])[c:53]2[cH:54][cH:55][c:56]([F:59])[cH:57][cH:58]2)[cH:60][c:61]([N:63]([S:64](=[O:65])(=[O:66])[CH3:67])[CH3:68])[cH:62]1)([CH2:69][CH2:70][CH2:71][CH3:72])[CH2:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1>>[NH2:40][C:41]([CH2:42][O:43][CH2:44][c:45]1[cH:46][c:47]([C:48](=[O:49])[NH:50][CH:51]([CH3:52])[c:53]2[cH:54][cH:55][c:56]([F:59])[cH:57][cH:58]2)[cH:60][c:61]([N:63]([S:64](=[O:65])(=[O:66])[CH3:67])[CH3:68])[cH:62]1)([CH2:69][CH3:70])[CH2:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1