HRID108835

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID280

Carbon dioxide

CO2

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID102463

2H-Azepin-2-one, 3-aminohexahydro-

C6H12N2O

结构：CN(C(=O)OC(C)(C)C)C(Cc1ccc(Cl)c(Cl)c1)C(O)CC(=O)O

HCID70830417

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)OC(C)(C)C)C(Cc1ccc(Cl)c(Cl)c1)C(O)CC(=O)NC1CCCCNC1=O

HCID178486018

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b4721c6dad14a7c95c7383b624d07c4
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:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34](=[O:35])[N:36]([CH:37]([CH:38]([CH2:39][C:40](=[O:41])[OH:42])[OH:43])[CH2:44][c:45]1[cH:46][c:47]([Cl:52])[c:48]([Cl:51])[cH:49][cH:50]1)[CH3:53].[C:69](=[O:70])([O-:71])[OH:72].[CH2:54]1[CH2:55][CH2:56][CH:57]([N:58]=[C:59]=[N:60][CH:61]2[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]2)[CH2:67][CH2:68]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:77][N:78]([CH3:79])[CH:80]=[O:81].[ClH:8].[K+:73].[NH2:9][CH:10]1[C:11](=[O:17])[NH:12][CH2:13][CH2:14][CH2:15][CH2:16]1.[O:74]=[C:75]=[O:76].[OH2:18].[OH2:82].[OH:19][n:20]1[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[n:27][n:28]1>>[NH:9]([CH:10]1[C:11](=[O:17])[NH:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[C:40]([CH2:39][CH:38]([CH:37]([N:36]([C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:35])[CH3:53])[CH2:44][c:45]1[cH:46][c:47]([Cl:52])[c:48]([Cl:51])[cH:49][cH:50]1)[OH:43])=[O:41]