HRID168461

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

2 次

HCID962

Water

H2O

9 次

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7498

alpha-Bromotoluene

C7H7Br

HCID104810

Barium (II) ion

Ba+2

HCID2825137

4-{[(Benzyloxy)carbonyl]amino}-2-hydroxybutanoic acid

C12H15NO5

PRODUCTS

生成物

结构：O=C(NCCC(OCc1ccccc1)C(=O)O)OCc1ccccc1

HCID67291294

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00287f3d1db94f76985142f3a63aed7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Ba+2:28].[Br:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][CH:14]([C:15](=[O:16])[OH:17])[OH:18].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH:44]([Cl:45])([Cl:46])[Cl:47].[ClH:38].[OH-:27].[OH-:29].[OH2:19].[OH2:20].[OH2:21].[OH2:22].[OH2:23].[OH2:24].[OH2:25].[OH2:26].[OH2:48]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][CH:14]([C:15](=[O:16])[OH:17])[O:18][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1