HRID2338365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12641422

未命名化合物

结构：CC(C)(C)N1C(=O)C(NCC(=O)O)=C(c2ccccc2)S1(=O)=O

HCID67241765

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(CC(C)OC(=O)CNC2=C(c3ccccc3)S(=O)(=O)N(C(C)(C)C)C2=O)c(C)c1

HCID69350719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb1db5b10aaa42f2bab100e2cc5f30e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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