HRID667958

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID24386

Thionyl chloride

Cl2OS

HCID11594543

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

C17H16N2O3

HCID13748961

未命名化合物

HCID21891082

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccc(CN5CCOCC5)cc4)cc3)c2cc1OC

HCID21890489

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d18774377cdd47eb8fdb9741e6361914
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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