HRID202656

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID313

Hydrochloric Acid

ClH

HCID1146

Trimethylamine

C3H9N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID58118636

未命名化合物

HCID67047016

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(C)NC(=O)C2CC2c2ccc(C(F)(F)F)nc2N(C)C)c(F)cc1NS(C)(=O)=O

HCID76653691

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0de694d2e0de46849085cf8eb13f3177
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:18][N:19]([c:20]1[n:21][c:22]([C:32]([F:33])([F:34])[F:35])[cH:23][cH:24][c:25]1[CH:26]1[CH:27]([C:29](=[O:30])[OH:31])[CH2:28]1)[CH3:36].[CH3:61][N:62]([CH3:63])[CH3:64].[CH:65]([OH:66])=[O:67].[ClH:1].[NH2:2][CH:3]([CH3:4])[c:5]1[cH:6][c:7]([CH3:17])[c:8]([NH:12][S:13](=[O:14])(=[O:15])[CH3:16])[cH:9][c:10]1[F:11].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[NH:2]([CH:3]([CH3:4])[c:5]1[cH:6][c:7]([CH3:17])[c:8]([NH:12][S:13](=[O:14])(=[O:15])[CH3:16])[cH:9][c:10]1[F:11])[C:29]([CH:27]1[CH:26]([c:25]2[c:20]([N:19]([CH3:18])[CH3:36])[n:21][c:22]([C:32]([F:33])([F:34])[F:35])[cH:23][cH:24]2)[CH2:28]1)=[O:30]