HRID2146800

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6558

Isobutylamine

C4H11N

结构：CC(=O)c1ccc2c(c1)CCCC2NC(=O)CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1

HCID68929305

未命名化合物

PRODUCTS

生成物

结构：CC(C)CNC(C)c1ccc2c(c1)CCCC2NC(=O)CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1

HCID68929051

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e236052566d45b48037bfd61cd117f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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