HRID676574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81272

Diethyl aminopropanedioate

C7H13NO4

HCID167544

2-Bromo-3-phenylpropanoic acid

C9H9BrO2

PRODUCTS

生成物

结构：CCOC(=O)C(NC(=O)C(Br)Cc1ccccc1)C(=O)OCC

HCID18348129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16f60c86d3e949b6a4314551ed034e7b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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