HRID2313583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID11952

Phenacylamine

C8H9NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID4431026

未命名化合物

HCID21914090

未命名化合物

PRODUCTS

生成物

结构：O=C(CNC(=O)C1CCCCN1C(=O)OCc1ccccc1)c1ccccc1

HCID23570718

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c32f48f28ff249c189ca55d3efc18fdc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1](=[O:2])([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[N:11]1[CH:12]([C:17](=[O:18])[OH:19])[CH2:13][CH2:14][CH2:15][CH2:16]1.[CH3:41][N:42]([CH3:43])[CH2:44][CH2:45][CH2:46][CH2:47][N:48]=[C:49]=[N:50][CH2:51][CH3:52].[CH3:53][N:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[Cl:60][CH2:61][Cl:62].[ClH:20].[NH2:21][CH2:22][C:23](=[O:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[OH2:63].[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1>>[C:1](=[O:2])([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[N:11]1[CH:12]([C:17](=[O:19])[NH:21][CH2:22][C:23](=[O:24])[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:13][CH2:14][CH2:15][CH2:16]1