HRID1573867

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID15908

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

C8H17N3

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

结构：O=C(O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

HCID21880607

未命名化合物

HCID77231265

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCCCNCC(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

HCID66782404

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5804a915263946e3bacb83fdd8ddb460
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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