HRID105126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID24386

Thionyl chloride

Cl2OS

HCID80652

Benzenepropanoic acid, 2-methoxy-

C10H12O3

HCID2759714

2-Methoxybenzenepropanoyl chloride

C10H11ClO2

HCID11594543

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

C17H16N2O3

HCID21890064

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1CCC(=O)NC(=S)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1

HCID21889943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a9ef86d255f4e62b2083c9c4e9087e7
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

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