HRID2336542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75210

2-Ethoxy-1-naphthoic acid

C13H12O3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：NC(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)cc1

HCID22262196

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc2ccccc2c1C(=O)NC(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)cc1

HCID22262022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0bd5a5aa742422289b53cca222267af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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