HRID2347159

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

结构：O=C(Nc1cc(C(F)(F)F)n(-c2ccccc2)n1)Oc1ccccc1

HCID66898801

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(F)(F)F)n(-c5ccccc5)n4)c3)c2cc1OC

HCID58267912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-253461146d4744b4bb0dd7295ed577b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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