HRID154095

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID76970

5-Chloro-o-anisic acid

C8H7ClO3

HCID66851890

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cl)cc1C(=O)N=c1sc(C(C)(C)C)cn1CC1(O)CCCC1

HCID66851937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05e404efccf048228d1a36fcee4f835f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:11][C:12]2([OH:17])[CH2:13][CH2:14][CH2:15][CH2:16]2)[c:8](=[NH:10])[s:9]1.[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[Cl:18][c:19]1[cH:20][cH:21][c:22]([O:28][CH3:29])[c:23]([C:24](=[O:25])[OH:26])[cH:27]1.[S:30]([Cl:31])([Cl:32])=[O:33]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:11][C:12]2([OH:17])[CH2:13][CH2:14][CH2:15][CH2:16]2)[c:8](=[N:10][C:24]([c:23]2[c:22]([O:28][CH3:29])[cH:21][cH:20][c:19]([Cl:18])[cH:27]2)=[O:25])[s:9]1