HRID1238537

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID43224

5-Methoxy-3-(piperidin-4-yl)-1H-indole

C14H18N2O

HCID81531

Diisopropylethylamine

C8H19N

HCID613657

6-chloro-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

C6H2ClF3N4

PRODUCTS

生成物

结构：COc1ccc2[nH]cc(C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)c2c1

HCID44125929

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bd11848c20e4f798f895472a2e1673e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:15][O:16][c:17]1[cH:18][c:19]2[c:20]([CH:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[cH:21][nH:22][c:23]2[cH:24][cH:25]1.[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([C:11]([F:12])([F:13])[F:14])[n:9][n:10]2.[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[c:2]1([N:29]2[CH2:28][CH2:27][CH:26]([c:20]3[c:19]4[cH:18][c:17]([O:16][CH3:15])[cH:25][cH:24][c:23]4[nH:22][cH:21]3)[CH2:31][CH2:30]2)[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([C:11]([F:12])([F:13])[F:14])[n:9][n:10]2