HRID210623

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)Nc1nc(Cl)c(-c2ccccc2)n(CC(=O)O)c1=O

HCID10969299

未命名化合物

HCID57974090

未命名化合物

PRODUCTS

生成物

结构：CC(C)Nc1nc(Cl)c(-c2ccccc2)n(CC(=O)Nc2cnc3c(c2)CC2(C3)C(=O)Nc3ncccc32)c1=O

HCID45138838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f09d897c11d4aa0be2bb7b8468104f3
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

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