HRID97092

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID262970

2-Fluoro-5-methylaniline

C7H8FN

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID58167792

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(F)c(NC(=O)c2ccc(F)c(Oc3ccnc(Cl)c3)c2)c1

HCID86651558

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3ebc821d39e4325b9c8978522ca2bcc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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