HRID1540492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID613657

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

C6H2ClF3N4

HCID21994188

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2ccc3nnc(C(F)(F)F)n3n2)C(C)CN1Cc1ccccc1

HCID72529259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d84248b11f194b1cb9c5ead79b3a20b4
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

[CH2:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[N:22]1[CH:23]([CH3:29])[CH2:24][NH:25][CH:26]([CH3:28])[CH2:27]1.[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[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:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[c:2]1([N:25]2[CH2:24][CH:23]([CH3:29])[N:22]([CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:27][CH:26]2[CH3:28])[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