HRID98911

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID20653

2-Methylhexanoic acid

C7H14O2

HCID24386

Thionyl chloride

Cl2OS

HCID3458543

2-methylhexanoyl Chloride

C7H13ClO

HCID11594543

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

C17H16N2O3

HCID21890727

未命名化合物

PRODUCTS

生成物

结构：CCCCC(C)C(=O)NC(=S)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1

HCID21890978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8214caa9eb7948148464ac1476303dbd
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

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