HRID1556866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID21097486

未命名化合物

HCID70968436

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(C)NC(=O)COc2ccc(C(C)(C)C(F)(F)F)cc2)ccc1NS(C)(=O)=O

HCID73019445

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c8d01d626d64ec284378d85067b3a18
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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