HRID307923

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID62388158

未命名化合物

HCID70968436

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(C)NC(=O)C2CC2(C)c2ccc(C(F)(F)F)cc2)ccc1NS(C)(=O)=O

HCID70968439

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d3589df73db4112bee04b1fa6bb9c2e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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