HRID959065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID77317

4-Pyridinemethanamine

C6H8N2

结构：CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cnc(Cl)c(Br)c1

HCID140043501

未命名化合物

PRODUCTS

生成物

结构：CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cnc(NCc2ccncc2)c(Br)c1

HCID145857702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45b654ff9fbd49ac8fbe4ed4a0cd3d6f
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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