HRID89268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID49841002

未命名化合物

结构：CCOC(=O)Cn1nc(C(C)(C)C)cc1NC(=O)Oc1ccccc1

HCID66876495

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(Oc2ncnc3cc(OC)c(OC)cc23)c1

HCID44242854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4ae39b0a64e44ee9d1e535145a8c75f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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