HRID2315848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2734595

3-methylbenzenesulfonyl Chloride

C7H7ClO2S

结构：CCCC1(C)C(=O)N(C2CCNCC2)N=C1c1ccc(OC)c(OC)c1

HCID66616510

未命名化合物

PRODUCTS

生成物

结构：CCCC1(C)C(=O)N(C2CCN(S(=O)(=O)c3cccc(C)c3)CC2)N=C1c1ccc(OC)c(OC)c1

HCID67365940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bebc0c45a59f49178dac8eb98f8178ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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