HRID293757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID28123

Tetrahydroborate

H4B-

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

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID3348

Fexofenadine

C32H39NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-768f8060445b4c6fbcdd60bfde2146da
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

[BH4-:39].[CH3:44][CH2:45][OH:46].[ClH:1].[ClH:43].[Na+:40].[Na+:42].[OH-:41].[OH2:47].[OH:2][C:3]([CH:4]1[CH2:5][CH2:6][N:7]([CH2:10][CH2:11][CH2:12][C:13](=[O:14])[c:15]2[cH:16][cH:17][c:18]([C:21]([C:22](=[O:23])[OH:24])([CH3:25])[CH3:26])[cH:19][cH:20]2)[CH2:8][CH2:9]1)([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[ClH:1].[OH:2][C:3]([CH:4]1[CH2:5][CH2:6][N:7]([CH2:10][CH2:11][CH2:12][CH:13]([OH:14])[c:15]2[cH:16][cH:17][c:18]([C:21]([C:22](=[O:23])[OH:24])([CH3:25])[CH3:26])[cH:19][cH:20]2)[CH2:8][CH2:9]1)([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1