HRID2331895

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

HCID583602

1-Acetyl-1H-indol-3-yl acetate

C12H11NO3

PRODUCTS

生成物

结构：CC(=O)n1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21

HCID59259291

1,1-Dimethylethyl 4-(1-acetyl-1H-indol-3-yl)-1-piperazinecarboxylate

C19H25N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1ac54fc48d14202a0ddb6c74ac73310
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

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