HRID829246

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID24386

Thionyl chloride

Cl2OS

HCID61351

3-Ethoxypropanoic acid

C5H10O3

HCID11594543

4-(6,7-DIMETHOXY-QUINOLIN-4-YLOXY)-PHENYLAMINE

C17H16N2O3

HCID12425341

3-Ethoxypropanoyl chloride

C5H9ClO2

HCID21890477

未命名化合物

PRODUCTS

生成物

结构：CCOCCC(=O)NC(=S)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1

HCID21890737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d617fd7460a4ddca8ecb033ee6a9c82
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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