HRID666919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID49758908

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)CC1

HCID59259331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-629b0f64b4e94c859509c59c5e893b86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH:1]([O:2][c:4]1[cH:5][n:6]([S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:7]2[n:8][cH:9][cH:10][cH:11][c:12]12)=[O:3].[N:22]1([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]1.[c:35]1([CH3:36])[cH:37][cH:38][c:39]([S:40]([OH:41])(=[O:42])=[O:43])[cH:44][cH:45]1>>[c:4]1([N:25]2[CH2:24][CH2:23][N:22]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:27][CH2:26]2)[cH:5][n:6]([S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:7]2[n:8][cH:9][cH:10][cH:11][c:12]12