HRID125143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID24386

Thionyl chloride

Cl2OS

HCID88337

4-Cyclohexylbenzoic acid

C13H16O2

HCID11594543

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

C17H16N2O3

HCID21890404

未命名化合物

HCID21890847

4-Cyclohexylbenzoyl chloride

C13H15ClO

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccc(C5CCCCC5)cc4)cc3)c2cc1OC

HCID21890920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17447309dc074271978da709d47abf30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:35][O:36][c:37]1[cH:38][c:39]2[c:40]([O:49][c:50]3[cH:51][cH:52][c:53]([NH2:54])[cH:55][cH:56]3)[cH:41][cH:42][n:43][c:44]2[cH:45][c:46]1[O:47][CH3:48].[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[CH3:81][CH2:82][OH:83].[CH:20]1([c:21]2[cH:22][cH:23][c:24]([C:25]([Cl:26])=[O:27])[cH:28][cH:29]2)[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]1.[CH:57]1([c:63]2[cH:64][cH:65][c:66]([C:69](=[O:70])[N:71]=[C:72]=[S:73])[cH:67][cH:68]2)[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]1.[CH:5]1([c:6]2[cH:7][cH:8][c:9]([C:10]([OH:11])=[O:12])[cH:13][cH:14]2)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1.[S:1]([Cl:2])([Cl:3])=[O:4]>>[CH3:35][O:36][c:37]1[cH:38][c:39]2[c:40]([O:49][c:50]3[cH:51][cH:52][c:53]([NH:54][C:72]([NH:71][C:69]([c:66]4[cH:65][cH:64][c:63]([CH:57]5[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]5)[cH:68][cH:67]4)=[O:70])=[S:73])[cH:55][cH:56]3)[cH:41][cH:42][n:43][c:44]2[cH:45][c:46]1[O:47][CH3:48]