HRID95553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID277

Carbamic acid

CH3NO2

HCID313

Hydrochloric Acid

ClH

2 次

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID95657

N-(Benzyloxycarbonyl)-DL-alanine

C11H13NO4

HCID11263922

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COC1CCN(C(=O)C(C)NC(=O)OCc2ccccc2)CC1

HCID18335647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b908d809389a46d188c1b5e722c4baf5
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:21]([Cl:22])(=[O:23])[C:24]([CH3:25])([CH3:26])[CH3:27].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([C:13](=[O:14])[OH:15])[CH3:16].[CH2:43]([OH:44])[CH3:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[ClH:28].[ClH:42].[NH2:17][C:18]([OH:19])=[O:20].[NH:29]1[CH2:30][CH2:31][CH:32]([O:35][CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[CH2:33][CH2:34]1.[OH2:52]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([C:13](=[O:15])[N:29]1[CH2:30][CH2:31][CH:32]([O:35][CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[CH2:33][CH2:34]1)[CH3:16]