HRID149069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID521913

2-Propanamine, N,N-diethyl-

C7H17N

HCID49841002

未命名化合物

结构：O=C(Nc1cc(C(F)(F)C(F)(F)F)nn1-c1ccccc1)Oc1ccccc1

HCID86653532

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(F)(F)C(F)(F)F)nn4-c4ccccc4)c3)c2cc1OC

HCID58267977

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be69590fd1734aa4a5b0dfda81fc7b43
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

[CH2:51]([N:52]([CH:53]([CH3:54])[CH3:55])[CH2:56][CH3:57])[CH3:58].[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:29][O:30][c:31]1[cH:32][c:33]2[c:34]([O:43][c:44]3[cH:45][c:46]([NH2:47])[cH:48][cH:49][cH:50]3)[n:35][cH:36][n:37][c:38]2[cH:39][c:40]1[O:41][CH3:42].[F:1][C:2]([C:3]([F:4])([F:5])[F:6])([c:7]1[n:8][n:9](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:10]([NH:12][C:13]([O:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)=[O:21])[cH:11]1)[F:28]>>[F:1][C:2]([C:3]([F:4])([F:5])[F:6])([c:7]1[n:8][n:9](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:10]([NH:12][C:13](=[O:21])[NH:47][c:46]2[cH:45][c:44]([O:43][c:34]3[c:33]4[cH:32][c:31]([O:30][CH3:29])[c:40]([O:41][CH3:42])[cH:39][c:38]4[n:37][cH:36][n:35]3)[cH:50][cH:49][cH:48]2)[cH:11]1)[F:28]