HRID101385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID137025

2,5-Dimethoxybenzenesulfonyl chloride

C8H9ClO4S

结构：COc1ccc(C2=NN(C3CCNCC3)C(=O)C2(C)C)cc1OC

HCID66616407

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(OC)c(S(=O)(=O)N2CCC(N3N=C(c4ccc(OC)c(OC)c4)C(C)(C)C3=O)CC2)c1

HCID46202396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-faf9d065b2d8439a868fd39fbaae57f0
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

[CH3:26][O:27][c:28]1[c:29]([S:36](=[O:37])(=[O:38])[Cl:39])[cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]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([CH3:24])[CH3:25])[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:36]([c:29]4[c:28]([O:27][CH3:26])[cH:33][cH:32][c:31]([O:34][CH3:35])[cH:30]4)(=[O:37])=[O:38])[CH2:21][CH2:22]3)[C:14](=[O:23])[C:13]2([CH3:24])[CH3:25])[cH:7][cH:8][c:9]1[O:10][CH3:11]