HRID115633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID15461774

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1nc2ccccc2n(Cc2ccccc2)c1=O

HCID18333108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e1d229739e54e77b92acb450da37f29
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

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