HRID309740

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID56953627

未命名化合物

HCID66876388

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(F)(F)F)nn4C)c3)c2cc1OC

HCID44242892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e6fefba1e7945868a7e600b23d18b34
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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