HRID155014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID14545055

未命名化合物

HCID22646519

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=O)Nc2ccc(Oc3ccnc4cc(OCc5ccccc5)c(C#N)cc34)cc2)cc1

HCID22936656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cf024a8d9c2421cbc9ab9bc6ee521a9
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

[CH3:1][N:2]1[CH2:3][CH2:4][CH2:5][C:6]1=[O:7].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH:8]([N:9]([CH:10]([CH3:11])[CH3:12])[CH2:13][CH3:14])([CH3:15])[CH3:16].[Cl:36][c:37]1[cH:38][cH:39][n:40][c:41]2[cH:42][c:43]([O:49][CH2:50][c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[c:44]([C:47]#[N:48])[cH:45][c:46]12.[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[OH:17][c:18]1[cH:19][cH:20][c:21]([NH:24][C:25](=[O:26])[NH:27][c:28]2[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]2)[cH:22][cH:23]1>>[O:17]([c:18]1[cH:19][cH:20][c:21]([NH:24][C:25](=[O:26])[NH:27][c:28]2[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]2)[cH:22][cH:23]1)[c:37]1[cH:38][cH:39][n:40][c:41]2[cH:42][c:43]([O:49][CH2:50][c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[c:44]([C:47]#[N:48])[cH:45][c:46]12