HRID101408

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

结构：CC(C)(C)OC(=O)N1CCN(CCOc2ccc(C3CCNCC3)cc2)CC1

HCID66788225

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(CCOc2ccc(C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)CC1

HCID66788098

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-afd9da7097984c9ca3fe84ae3d28f874
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

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