HRID190154

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID62654

Benzenepropanal, 4-(1-methylethyl)-

C12H16O

HCID22610259

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc(CCCN(C)C2CCC(c3ccc4[nH]c(=O)oc4c3)CC2)cc1

HCID59125360

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a5136b5b52149a1a1cae21efaea0175
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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