HRID101341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CC(C)(C)OC(=O)N1CCC(Oc2ccc(NCc3ccc4ccc(C#N)cc4c3)cc2)CC1

HCID15392197

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Oc2ccc(N(Cc3ccc4ccc(C#N)cc4c3)S(C)(=O)=O)cc2)CC1

HCID15392226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fec5a1f30fc24599a9975b537ef42e42
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

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