HRID2335106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID522823

2,5-Difluorophenylacetic acid

C8H6F2O2

HCID178507154

未命名化合物

PRODUCTS

生成物

结构：NC1=c2ccsc2=NCN1c1ccc(NC(=O)Cc2cc(F)ccc2F)cc1

HCID178507159

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81e7ca2e10b2460b95a2f7ee99ad2a0b
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

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