HRID306508

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

HCID11739027

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

C17H15ClN2O3

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)c(Cl)c1

HCID21891137

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5b7181447df4a39a763620d9657d290
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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].[CH3:54][CH2:55][OH:56].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cl:31][c:32]1[cH:33][c:34]([NH2:35])[cH:36][cH:37][c:38]1[O:39][c:40]1[cH:41][cH:42][n:43][c:44]2[cH:45][c:46]([O:52][CH3:53])[c:47]([O:50][CH3:51])[cH:48][c:49]12.[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:35][c:34]1[cH:33][c:32]([Cl:31])[c:38]([O:39][c:40]2[cH:41][cH:42][n:43][c:44]3[cH:45][c:46]([O:52][CH3:53])[c:47]([O:50][CH3:51])[cH:48][c:49]23)[cH:37][cH:36]1