HRID2349232

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

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID78386

4-(2-Thienyl)butyric acid

C8H10O2S

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：O=C(CCCc1cccs1)NC(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)cc1

HCID22261648

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1ca5c6cc92b4842a265ef89224409f7
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

[CH2:36]([N:37]=[C:38]=[N:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45])[CH3:46].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[ClH:1].[ClH:35].[ClH:57].[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.[OH2:63].[OH:47][n:48]1[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1.[s:24]1[c:25]([CH2:29][CH2:30][CH2:31][C:32](=[O:33])[OH:34])[cH:26][cH:27][cH:28]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:32]([CH2:31][CH2:30][CH2:29][c:25]2[s:24][cH:28][cH:27][cH:26]2)=[O:33])=[O:23])[cH:7][cH:8]1