HRID86869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID62406

未命名化合物

HCID81531

Diisopropylethylamine

C8H19N

HCID4416939

1-Boc-3-hydroxypyrrolidine

C9H17NO3

HCID4612058

1-(3-methoxyphenyl)ethanamine

C9H13NO

PRODUCTS

生成物

结构：COc1cccc(C(C)NC2CCN(C(=O)OC(C)(C)C)C2)c1

HCID72478205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3dca526239a4b95ba84b722fdb9720a
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([OH:13])[CH2:11][CH2:12]1.[C:42](=[O:43])([OH:44])[O-:45].[CH2:47]([Cl:48])[Cl:49].[CH3:31][O:32][c:33]1[cH:34][c:35]([CH:39]([CH3:40])[NH2:41])[cH:36][cH:37][cH:38]1.[CH:14]([N:15]([CH:16]([CH3:17])[CH3:18])[CH2:19][CH3:20])([CH3:21])[CH3:22].[CH:50]([Cl:51])([Cl:52])[Cl:53].[Na+:46].[OH:23][S:24]([C:25]([F:26])([F:27])[F:28])(=[O:29])=[O:30]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([NH:41][CH:39]([c:35]2[cH:34][c:33]([O:32][CH3:31])[cH:38][cH:37][cH:36]2)[CH3:40])[CH2:11][CH2:12]1