HRID101592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

结构：COC(=O)C(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

HCID9936344

4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid methyl ester

C33H41NO4

PRODUCTS

生成物

HCID9958101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a21d032ed772474296e9b65f8745a2b1
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

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