HRID2310484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9918

Norcyclobenzaprine

C19H19N

HCID15908

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

C8H17N3

HCID78288

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-

C7H13NO4

PRODUCTS

产物

HCID59853902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-55337c9ace604537b0fb8f489640cf1b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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