HRID191102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID59394502

未命名化合物

HCID66875805

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(F)(F)F)n(C)n4)c3)c2cc1OC

HCID44242928

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab1f29d3c09145349d710d03edab735e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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