HRID682018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7525

N-Ethylmorpholine

C6H13NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

结构：CC(NC(=O)OCc1ccccc1)C(=O)N1CCCC1C(=O)O

HCID333210

1-[2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid

C16H20N2O5

HCID3427831

Ethanaminium

C2H8N+

PRODUCTS

生成物

HCID187872

Ethanaminide

C2H6N-

HCID333210

1-[2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid

C16H20N2O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-853c346d441e4bd790ad1b8c3e6b14f6
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

[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]([CH3:13])[C:14](=[O:15])[N:16]1[CH:17]([C:18](=[O:19])[OH:20])[CH2:21][CH2:22][CH2:23]1.[CH2:24]([CH3:25])[N:26]1[CH2:27][CH2:28][O:29][CH2:30][CH2:31]1.[CH2:41]([NH3+:42])[CH3:43].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl-:40].[Cl:32][C:33]([O:34][CH2:35][CH:36]([CH3:37])[CH3:38])=[O:39].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]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][CH:12]([CH3:13])[C:14](=[O:15])[N:16]1[CH:17]([C:18](=[O:19])[OH:20])[CH2:21][CH2:22][CH2:23]1.[CH2:24]([CH3:25])[NH-:26]