HRID169505

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)(C)c1cc(NC(=O)Oc2ccccc2)n(C2CCCCC2)n1

HCID67159405

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)nn4C4CCCCC4)c3)c2cc1OC

HCID56954223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aac25670eea441dda13d3abe73094c43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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