HRID1559625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID53167

1-Methylpiperazine

C5H12N2

结构：CC(C)(C#N)c1cccc(C(=O)Nc2ccc(C#N)c(Oc3ccc4nc(NC(=O)CCl)sc4n3)c2)c1

HCID86646008

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(CC(=O)Nc2nc3ccc(Oc4cc(NC(=O)c5cccc(C(C)(C)C#N)c5)ccc4C#N)nc3s2)CC1

HCID59506917

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fea8dff85a947119ab920b3a3d21bc6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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