HRID1216796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

反应SMILES：COc1cc2ncnc(Oc3cccc(N)c3)c2cc1OC

HCID49841002

未命名化合物

反应SMILES：Cc1ccc(-n2nc(C(F)(F)F)cc2NC(=O)Oc2ccccc2)cc1

HCID58267955

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(F)(F)F)nn4-c4ccc(C)cc4)c3)c2cc1OC

HCID58267759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-03f07f7b81c940c08702fcaf097ee702
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

[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:27][O:28][c:29]1[cH:30][c:31]2[c:32]([O:41][c:42]3[cH:43][c:44]([NH2:45])[cH:46][cH:47][cH:48]3)[n:33][cH:34][n:35][c:36]2[cH:37][c:38]1[O:39][CH3:40].[CH3:49][N:50]([CH3:51])[c:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1.[c:1]1([CH3:26])[cH:2][cH:3][c:4](-[n:7]2[n:8][c:9]([C:22]([F:23])([F:24])[F:25])[cH:10][c:11]2[NH:12][C:13]([O:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)=[O:21])[cH:5][cH:6]1>>[c:1]1([CH3:26])[cH:2][cH:3][c:4](-[n:7]2[n:8][c:9]([C:22]([F:23])([F:24])[F:25])[cH:10][c:11]2[NH:12][C:13](=[O:21])[NH:45][c:44]2[cH:43][c:42]([O:41][c:32]3[c:31]4[cH:30][c:29]([O:28][CH3:27])[c:38]([O:39][CH3:40])[cH:37][c:36]4[n:35][cH:34][n:33]3)[cH:48][cH:47][cH:46]2)[cH:5][cH:6]1