HRID292240

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID79681

1-Isopropylpiperidin-4-ol

C8H17NO

HCID90677

Ethyl 5-hydroxy-1H-indole-2-carboxylate

C11H11NO3

结构：CCOC(=O)c1cc2cc(OC3CCN(C(C)C)CC3)ccc2[nH]1

HCID44185246

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)O)cc3c2)CC1

HCID59699456

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22edb5a99d3440b28b8466c397998d8e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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