HRID2129801

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9086

3-Aminopropanol

C3H9NO

HCID15908

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

C8H17N3

HCID61778

Bisulfate anion

HO4S-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID5240609

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)OC(C)(C)C)C(Cc1ccccc1)C(=O)NCCCO

HCID20827595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bce345693264beea54ab91f8733f076
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11](=[O:12])[N:13]([CH:14]([CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[C:22](=[O:23])[OH:24])[CH3:25].[CH3:38][N:39]([CH3:40])[CH2:41][CH2:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH3:48].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[ClH:37].[NH2:1][CH2:2][CH2:3][CH2:4][OH:5].[Na+:59].[OH2:26].[OH:27][n:28]1[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1.[S:54]([O-:55])([OH:56])(=[O:57])=[O:58]>>[NH:1]([CH2:2][CH2:3][CH2:4][OH:5])[C:22]([CH:14]([N:13]([C:11]([O:10][C:6]([CH3:7])([CH3:8])[CH3:9])=[O:12])[CH3:25])[CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)=[O:23]