HRID819053

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+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID6558

Isobutylamine

C4H11N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(CC(NC(=O)C(F)(F)F)C(=O)O)c1ccccc1

HCID569630

未命名化合物

PRODUCTS

生成物

结构：CC(C)CNC(=O)C(CC(=O)c1ccccc1)NC(=O)C(F)(F)F

HCID86616773

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43f058c318624be8b4aad9458875687b
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:58](=[O:59])([OH:60])[O-:61].[CH2:21]([CH:22]([CH3:23])[CH3:24])[NH2:25].[CH2:68]([Cl:69])[Cl:70].[CH3:27][N:28]([CH3:29])[CH2:30][CH2:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH3:37].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[ClH:26].[Na+:62].[O:1]=[C:2]([CH2:3][CH:4]([C:5](=[O:6])[OH:7])[NH:8][C:9]([C:10]([F:11])([F:12])[F:13])=[O:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[OH2:38].[n:39]1([OH:40])[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[O:1]=[C:2]([CH2:3][CH:4]([C:5](=[O:7])[NH:25][CH2:21][CH:22]([CH3:23])[CH3:24])[NH:8][C:9]([C:10]([F:11])([F:12])[F:13])=[O:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1