HRID87823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

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

HCID9958101

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

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

HCID9935699

2-[4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic acid

C32H37NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3efac07e2b04933a4b1fea5e5955f10
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]([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].[CH3:42][OH:43].[ClH:41].[Na+:40].[OH-:39]>>[ClH:41].[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])[OH:38]