HRID1538492

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-

HCID70542

1-(2,5-Xylyl)piperazine

C12H18N2

HCID1876853

[4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid

C7H6ClF3N2O2

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：Cc1ccc(C)c(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c1

HCID10070429

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46410c3eae034dfaa67fad952750cdc1
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

[CH3:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[cH:4][c:5]([CH3:8])[cH:6][cH:7]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[Cl:15][c:16]1[c:17]([C:26]([F:27])([F:28])[F:29])[n:18][n:19]([CH2:22][C:23](=[O:24])[OH:25])[c:20]1[CH3:21].[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[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[CH3:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([C:23]([CH2:22][n:19]3[n:18][c:17]([C:26]([F:27])([F:28])[F:29])[c:16]([Cl:15])[c:20]3[CH3:21])=[O:24])[CH2:13][CH2:14]2)[cH:4][c:5]([CH3:8])[cH:6][cH:7]1