HRID1148037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID24386

Thionyl chloride

Cl2OS

HCID88337

4-Cyclohexylbenzoic acid

C13H16O2

HCID11739027

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

C17H15ClN2O3

HCID21890404

未命名化合物

HCID21890847

4-Cyclohexylbenzoyl chloride

C13H15ClO

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccc(C5CCCCC5)cc4)cc3Cl)c2cc1OC

HCID21890563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78af186e36d347509f0d175ee03ea9b2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[CH3:82][CH2:83][OH:84].[CH:20]1([c:21]2[cH:22][cH:23][c:24]([C:25]([Cl:26])=[O:27])[cH:28][cH:29]2)[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]1.[CH:58]1([c:64]2[cH:65][cH:66][c:67]([C:70](=[O:71])[N:72]=[C:73]=[S:74])[cH:68][cH:69]2)[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[CH:5]1([c:6]2[cH:7][cH:8][c:9]([C:10]([OH:11])=[O:12])[cH:13][cH:14]2)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1.[Cl:35][c:36]1[cH:37][c:38]([NH2:39])[cH:40][cH:41][c:42]1[O:43][c:44]1[cH:45][cH:46][n:47][c:48]2[cH:49][c:50]([O:56][CH3:57])[c:51]([O:54][CH3:55])[cH:52][c:53]12.[S:1]([Cl:2])([Cl:3])=[O:4]>>[Cl:35][c:36]1[cH:37][c:38]([NH:39][C:73]([NH:72][C:70]([c:67]2[cH:66][cH:65][c:64]([CH:58]3[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]3)[cH:69][cH:68]2)=[O:71])=[S:74])[cH:40][cH:41][c:42]1[O:43][c:44]1[cH:45][cH:46][n:47][c:48]2[cH:49][c:50]([O:56][CH3:57])[c:51]([O:54][CH3:55])[cH:52][c:53]12