HRID167334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID8028

Tetrahydrofuran

C4H8O

结构：CCn1cc(-c2ccnc3[nH]c(-c4cccc(C=O)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1

HCID58980006

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1

HCID46885626

GSK-1070916A

C30H33N7O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94af7a3fbb6d493b92be73435a4c93f4
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

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