HRID158736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID10356

3,5-Dimethylbenzoic acid

C9H10O2

HCID24386

Thionyl chloride

Cl2OS

HCID81088

Benzoyl chloride, 3,5-dimethyl-

C9H9ClO

HCID11739027

3-Chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]aniline

C17H15ClN2O3

HCID16775643

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3Cl)c2cc1OC

HCID21891155

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-678e93ff6cca429db229667234d75b49
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

[CH3:16][c:17]1[cH:18][c:19]([C:20]([Cl:21])=[O:22])[cH:23][c:24]([CH3:25])[cH:26]1.[CH3:27][c:28]1[cH:29][c:30]([C:35](=[O:36])[N:37]=[C:38]=[S:39])[cH:31][c:32]([CH3:34])[cH:33]1.[CH3:5][c:6]1[cH:7][c:8]([C:13]([OH:14])=[O:15])[cH:9][c:10]([CH3:11])[cH:12]1.[CH3:63][CH2:64][OH:65].[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[Cl:40][c:41]1[cH:42][c:43]([NH2:44])[cH:45][cH:46][c:47]1[O:48][c:49]1[cH:50][cH:51][n:52][c:53]2[cH:54][c:55]([O:61][CH3:62])[c:56]([O:59][CH3:60])[cH:57][c:58]12.[S:1]([Cl:2])([Cl:3])=[O:4]>>[CH3:27][c:28]1[cH:29][c:30]([C:35](=[O:36])[NH:37][C:38](=[S:39])[NH:44][c:43]2[cH:42][c:41]([Cl:40])[c:47]([O:48][c:49]3[cH:50][cH:51][n:52][c:53]4[cH:54][c:55]([O:61][CH3:62])[c:56]([O:59][CH3:60])[cH:57][c:58]34)[cH:46][cH:45]2)[cH:31][c:32]([CH3:34])[cH:33]1