HRID1113109

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

HCID333436

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)N(C)CCC=C1c2ccccc2C=Cc2ccccc21)N(C)C(=O)OC(C)(C)C

HCID178445217

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddd17ad6f0844b019f75de6a2db1c69f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[C:14](=[O:15])[OH:16])[CH3:17].[CH2:19]([N:20]=[C:21]=[N:22][CH2:23][CH2:24][CH2:25][N:26]([CH3:27])[CH3:28])[CH3:29].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[Cl:62][CH2:63][Cl:64].[ClH:18].[Na+:57].[OH:58][C:59](=[O:60])[O-:61].[cH:30]1[cH:31][cH:32][cH:33][c:34]2[c:40]1[CH:39]=[CH:38][c:37]1[c:36]([cH:44][cH:43][cH:42][cH:41]1)[C:35]2=[CH:45][CH2:46][CH2:47][NH:48][CH3:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[C:14](=[O:16])[N:48]([CH2:47][CH2:46][CH:45]=[C:35]1[c:34]2[cH:33][cH:32][cH:31][cH:30][c:40]2[CH:39]=[CH:38][c:37]2[c:36]1[cH:44][cH:43][cH:42][cH:41]2)[CH3:49])[CH3:17]