HRID941601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID11897

Benzoic acid, 2,4-dimethyl-

C9H10O2

HCID24386

Thionyl chloride

Cl2OS

HCID140867

Benzoyl chloride, 2,4-dimethyl-

C9H9ClO

HCID11739027

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

C17H15ClN2O3

HCID16778121

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccc(C)cc4C)cc3Cl)c2cc1OC

HCID21890757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdfb7db08eb74157a1aca64f2dfdf9c6
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:16][c:17]1[cH:18][c:19]([CH3:20])[cH:21][cH:22][c:23]1[C:24]([Cl:25])=[O:26].[CH3:27][c:28]1[c:29]([C:35](=[O:36])[N:37]=[C:38]=[S:39])[cH:30][cH:31][c:32]([CH3:34])[cH:33]1.[CH3:5][c:6]1[cH:7][c:8]([CH3:9])[cH:10][cH:11][c:12]1[C:13]([OH:14])=[O:15].[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[c:29]([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:30][cH:31][c:32]([CH3:34])[cH:33]1