HRID1562864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID87883

Butyl bromoacetate

C6H11BrO2

结构：Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)C2CCCCC2)cc1

HCID53778489

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(=O)C1N(S(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc2C1(O)C1CCCCC1

HCID23368697

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43b0d8f0991f42bc9728b13c3a93ea57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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