HRID303022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2736995

5-[2-(Methylthio)pyrimidin-4-yl]thiophene-2-sulfonyl chloride

C9H7ClN2O2S3

HCID2776333

1-Benzothiophene-2-sulfonyl chloride

C8H5ClO2S2

HCID19350901

未命名化合物

PRODUCTS

生成物

结构：CSc1nccc(-c2ccc(S(=O)(=O)NC3CCN(Cc4cccc(C#N)c4)C3=O)s2)n1

HCID178503419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d90a4b98ba145c68b8cdc8fc1911468
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:18][S:19][c:20]1[n:21][cH:22][cH:23][c:24](-[c:26]2[cH:27][cH:28][c:29]([S:31](=[O:32])(=[O:33])[Cl:34])[s:30]2)[n:25]1.[ClH:1].[NH2:2][CH:3]1[C:4](=[O:17])[N:5]([CH2:8][c:9]2[cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15][cH:16]2)[CH2:6][CH2:7]1.[s:35]1[c:36]([S:37]([Cl:38])(=[O:39])=[O:40])[cH:41][c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]12>>[NH:2]([CH:3]1[C:4](=[O:17])[N:5]([CH2:8][c:9]2[cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15][cH:16]2)[CH2:6][CH2:7]1)[S:31]([c:29]1[cH:28][cH:27][c:26](-[c:24]2[cH:23][cH:22][n:21][c:20]([S:19][CH3:18])[n:25]2)[s:30]1)(=[O:32])=[O:33]