HRID87312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID15413

Methyl tert-butyl ether

C5H12O

HCID4189925

N-Boc-4-Hydroxyphenyl-DL-glycine

C13H17NO5

HCID11107093

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OCCOc1ccc(C(NC(=O)OC(C)(C)C)C(=O)O)cc1

HCID66815166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4dca0ff7833d40c584b036cc0d781619
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])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[c:13]1[cH:14][cH:15][c:16]([OH:19])[cH:17][cH:18]1.[CH3:31][N:32]1[CH2:33][CH2:34][CH2:35][C:36]1=[O:37].[CH3:38][O:39][C:40]([CH3:41])([CH3:42])[CH3:43].[ClH:30].[I:22][CH2:23][CH2:24][O:25][C:26]([CH3:27])([CH3:28])[CH3:29].[Na+:21].[OH-:20].[OH2:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[c:13]1[cH:14][cH:15][c:16]([O:19][CH2:23][CH2:24][O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:17][cH:18]1