HRID1570854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(COc2cc3nccc(Oc4ccc(NC(=O)Nc5nccs5)cc4)c3cc2C#N)CC1

HCID86591482

4-{6-Cyano-4-[4-(3-thiazol-2-ylureido)phenoxy]quinolin-7-yloxymethyl}piperidine-1-carboxylic acid tert-butyl ester

C31H32N6O5S

PRODUCTS

生成物

结构：N#Cc1cc2c(Oc3ccc(NC(=O)Nc4nccs4)cc3)ccnc2cc1OCC1CCNCC1

HCID22936377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31f09d5dbc13405cac0105ce9694b850
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][O:15][c:16]2[c:17]([C:42]#[N:43])[cH:18][c:19]3[c:20]([O:26][c:27]4[cH:28][cH:29][c:30]([NH:33][C:34](=[O:35])[NH:36][c:37]5[s:38][cH:39][cH:40][n:41]5)[cH:31][cH:32]4)[cH:21][cH:22][n:23][c:24]3[cH:25]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[OH:44][C:45]([C:46]([F:47])([F:48])[F:49])=[O:50]>>[NH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][O:15][c:16]2[c:17]([C:42]#[N:43])[cH:18][c:19]3[c:20]([O:26][c:27]4[cH:28][cH:29][c:30]([NH:33][C:34](=[O:35])[NH:36][c:37]5[s:38][cH:39][cH:40][n:41]5)[cH:31][cH:32]4)[cH:21][cH:22][n:23][c:24]3[cH:25]2)[CH2:12][CH2:13]1