HRID1209912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23433297

4-[(1-Methyl-4-piperidinyl)oxy]benzaldehyde

C13H17NO2

结构：CCNc1cc(OC)ccc1C1CCc2cc(OC(=O)C(C)(C)C)ccc2C1

HCID57934095

未命名化合物

结构：CCN(Cc1ccc(OC2CCN(C)CC2)cc1)c1cc(OC)ccc1C1CCc2cc(OC(=O)C(C)(C)C)ccc2C1

HCID66625867

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1ccc(OC2CCN(C)CC2)cc1)c1cc(OC)ccc1C1CCc2cc(O)ccc2C1

HCID57933766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eaf12b3cb543427cafb43a4e766bff49
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([NH:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[cH:8][cH:9][c:10]1[CH:11]1[CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:17][C:18](=[O:19])[C:20]([CH3:21])([CH3:22])[CH3:23])[cH:24][cH:25][c:26]2[CH2:27]1)[CH3:28].[CH2:45]([CH3:46])[N:47]([c:48]1[c:49]([CH:56]2[CH2:57][c:58]3[cH:59][cH:60][c:61]([O:66][C:67](=[O:68])[C:69]([CH3:70])([CH3:71])[CH3:72])[cH:62][c:63]3[CH2:64][CH2:65]2)[cH:50][cH:51][c:52]([O:54][CH3:55])[cH:53]1)[CH2:73][c:74]1[cH:75][cH:76][c:77]([O:80][CH:81]2[CH2:82][CH2:83][N:84]([CH3:87])[CH2:85][CH2:86]2)[cH:78][cH:79]1.[CH3:29][N:30]1[CH2:31][CH2:32][CH:33]([O:34][c:35]2[cH:36][cH:37][c:38]([CH:39]=[O:40])[cH:41][cH:42]2)[CH2:43][CH2:44]1>>[CH2:45]([CH3:46])[N:47]([c:48]1[c:49]([CH:56]2[CH2:57][c:58]3[cH:59][cH:60][c:61]([OH:66])[cH:62][c:63]3[CH2:64][CH2:65]2)[cH:50][cH:51][c:52]([O:54][CH3:55])[cH:53]1)[CH2:73][c:74]1[cH:75][cH:76][c:77]([O:80][CH:81]2[CH2:82][CH2:83][N:84]([CH3:87])[CH2:85][CH2:86]2)[cH:78][cH:79]1