HRID206735

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

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID66649

Benzenemethanamine, 2-fluoro-

C7H8FN

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID22600241

未命名化合物

PRODUCTS

生成物

HCID59636461

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-819f3de476b24a8babd0728e5799b6fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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