HRID2141645

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16640553

未命名化合物

结构：Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID58978369

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1cnc2ccccc2c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1

HCID58978422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1dde8323ca9e46c5b2785fd500bcd723
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])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:14]([c:15]2[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[CH2:22][C:23](=[O:24])[OH:25])[cH:9][cH:10]1.[CH2:26]([CH3:27])[NH:28][CH2:29][c:30]1[cH:31][n:32][c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[cH:39]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:14]([c:15]2[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[CH2:22][C:23](=[O:24])[N:28]([CH2:26][CH3:27])[CH2:29][c:30]2[cH:31][n:32][c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]3[cH:39]2)[cH:9][cH:10]1