HRID161132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID66876764

未命名化合物

HCID86653520

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4ccc(C(F)(F)F)c(F)c4)c3)c2cc1OC

HCID58267914

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f66ee13384374862933ed40b07d2877b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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