HRID112481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID117830

Benzoic acid, 2-(chlorosulfonyl)-, methyl ester

C8H7ClO4S

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：COC(=O)c1ccccc1S(=O)(=O)N1CCC(N2N=C(c3ccc(OC)c(OC)c3)C(C)(C)C2=O)CC1

HCID46189879

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fdcb4bbb678541449ea9336accb01ed3
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

[CH3:2][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].[Cl:26][S:27](=[O:28])(=[O:29])[c:30]1[c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37][cH:38][cH:39]1.[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:27](=[O:28])(=[O:29])[c:30]4[c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37][cH:38][cH:39]4)[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]