HRID1151596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID9773

Ethanamine, 2,2,2-trifluoro-

C2H4F3N

HCID15908

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

C8H17N3

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)NCC(F)(F)F

HCID20827627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fabf35ad803f4f9dac3127d609083d2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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