HRID88727

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：CC(C)Cn1nc(C(C)(C)C)cc1NC(=O)Oc1ccccc1

HCID66876741

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)nn4CC(C)C)c3)c2cc1OC

HCID56954222

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5986849364184239ad66c24053c12390
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][CH:21]([CH3:22])[CH3:23])[c:8]([NH:10][C:11]([O:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)=[O:19])[cH:9]1.[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:33][O:34][c:35]1[cH:36][c:37]2[c:38]([O:47][c:48]3[cH:49][c:50]([NH2:51])[cH:52][cH:53][cH:54]3)[n:39][cH:40][n:41][c:42]2[cH:43][c:44]1[O:45][CH3:46].[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7]([CH2:20][CH:21]([CH3:22])[CH3:23])[c:8]([NH:10][C:11](=[O:19])[NH:51][c:50]2[cH:49][c:48]([O:47][c:38]3[c:37]4[cH:36][c:35]([O:34][CH3:33])[c:44]([O:45][CH3:46])[cH:43][c:42]4[n:41][cH:40][n:39]3)[cH:54][cH:53][cH:52]2)[cH:9]1