HRID2330345

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

HCID11594543

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

C17H16N2O3

HCID16778121

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccc(C)cc4C)cc3)c2cc1OC

HCID21890874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05b122f43b394edfb448fe78b53b5363
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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][O:28][c:29]1[cH:30][c:31]2[c:32]([O:41][c:42]3[cH:43][cH:44][c:45]([NH2:46])[cH:47][cH:48]3)[cH:33][cH:34][n:35][c:36]2[cH:37][c:38]1[O:39][CH3:40].[CH3:49][c:50]1[c:51]([C:57](=[O:58])[N:59]=[C:60]=[S:61])[cH:52][cH:53][c:54]([CH3:56])[cH:55]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].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[CH3:69][CH2:70][OH:71].[S:1]([Cl:2])([Cl:3])=[O:4]>>[CH3:27][O:28][c:29]1[cH:30][c:31]2[c:32]([O:41][c:42]3[cH:43][cH:44][c:45]([NH:46][C:60]([NH:59][C:57]([c:51]4[c:50]([CH3:49])[cH:55][c:54]([CH3:56])[cH:53][cH:52]4)=[O:58])=[S:61])[cH:47][cH:48]3)[cH:33][cH:34][n:35][c:36]2[cH:37][c:38]1[O:39][CH3:40]