HRID1566735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID53167

1-Methylpiperazine

C5H12N2

结构：Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ncc2nc(NC(=O)CCl)sc2n1

HCID86646091

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ncc2nc(NC(=O)CN3CCN(C)CC3)sc2n1

HCID59507035

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea46f13f38b84e0e85dff8cc239af01c
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

[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:44][N:45]1[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]1.[Cl:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[s:7][c:8]2[n:9][c:10]([NH:15][c:16]3[cH:17][c:18]([NH:23][C:24]([c:25]4[cH:26][c:27]([C:31]([CH3:32])([CH3:33])[C:34]#[N:35])[cH:28][cH:29][cH:30]4)=[O:36])[cH:19][cH:20][c:21]3[CH3:22])[n:11][cH:12][c:13]2[n:14]1.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:51]>>[CH2:2]([C:3](=[O:4])[NH:5][c:6]1[s:7][c:8]2[n:9][c:10]([NH:15][c:16]3[cH:17][c:18]([NH:23][C:24]([c:25]4[cH:26][c:27]([C:31]([CH3:32])([CH3:33])[C:34]#[N:35])[cH:28][cH:29][cH:30]4)=[O:36])[cH:19][cH:20][c:21]3[CH3:22])[n:11][cH:12][c:13]2[n:14]1)[N:48]1[CH2:47][CH2:46][N:45]([CH3:44])[CH2:50][CH2:49]1