HRID105758

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID5011

Quipazine

C13H15N3

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID23503110

未命名化合物

PRODUCTS

生成物

结构：CC(C)COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc3ccccc3n2)CC1

HCID11619702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cbdfb76b921499b8dbccd6e4dab225a
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

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