HRID151684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID13585909

2-Methoxy-5-(trifluoromethyl)benzoic acid

C9H7F3O3

HCID66852014

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(F)(F)F)cc1C(=O)N=c1sc(C(C)(C)C)cn1CC1(O)CCC1

HCID66852168

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c03767e1a001462ba7015a718af6432a
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:16])[CH2:13][CH2:14][CH2:15]2)[c:8](=[NH:10])[s:9]1.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:17][O:18][c:19]1[c:20]([C:21](=[O:22])[OH:23])[cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[S:32]([Cl:33])([Cl:34])=[O:35]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][n:7]([CH2:11][C:12]2([OH:16])[CH2:13][CH2:14][CH2:15]2)[c:8](=[N:10][C:21]([c:20]2[c:19]([O:18][CH3:17])[cH:27][cH:26][c:25]([C:28]([F:29])([F:30])[F:31])[cH:24]2)=[O:22])[s:9]1