HRID112127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID66875805

未命名化合物

HCID66877200

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(C(C)(C)C#N)c4)c3)c2cc1OC

HCID58267724

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-636579f7b3df4941a3eefb3ea72f634f
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:26](#[N:27])[C:28]([CH3:29])([CH3:30])[c:31]1[cH:32][c:33]([NH:37][C:38]([O:39][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)=[O:40])[cH:34][cH:35][cH:36]1.[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:18][c:19]3[cH:20][c:21]([NH2:22])[cH:23][cH:24][cH:25]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH2:14][CH2:15][O:16][CH3:17].[CH3:52][N:53]([c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1)[CH3:60]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:18][c:19]3[cH:20][c:21]([NH:22][C:38]([NH:37][c:33]4[cH:32][c:31]([C:28]([C:26]#[N:27])([CH3:29])[CH3:30])[cH:36][cH:35][cH:34]4)=[O:39])[cH:23][cH:24][cH:25]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH2:14][CH2:15][O:16][CH3:17]