HRID1222573

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：CC1(C)C(=O)N(C2CCNCC2)N=C1c1ccc(OC(F)F)c(OCC2CC2)c1

HCID66616580

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(S(=O)(=O)N2CCC(N3N=C(c4ccc(OC(F)F)c(OCC5CC5)c4)C(C)(C)C3=O)CC2)c1

HCID67385198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c7e011663db48c1ad82774b5c582485
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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