HRID2158939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID24386

Thionyl chloride

Cl2OS

HCID349115

5-Bromothiophene-2-carboxylic acid

C5H3BrO2S

HCID605712

5-bromothiophene-2-carbonyl chloride

C5H2BrClOS

反应SMILES：COc1cc2nccc(Oc3ccc(N)c(C)c3)c2cc1OC

HCID21890510

4-[(6,7-Dimethoxyquinolin-4-yl)oxy]-2-methylaniline

C18H18N2O3

HCID21891177

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccc(Br)s4)c(C)c3)c2cc1OC

HCID21890521

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a36d0335af5b45a19afc08946eaad92e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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