HRID2333530

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID53167

1-Methylpiperazine

C5H12N2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID16125958

tert-Butyl 5-iodo-1H-indole-1-carboxylate

C13H14INO2

PRODUCTS

生成物

结构：CN1CCN(c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)CC1

HCID58117405

tert-Butyl 5-(4-methylpiperazin-1-yl)-1H-indole-1-carboxylate

C18H25N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-821537ab8edf4f53a0bf95056811d917
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[cH:9][cH:10][c:11]2[cH:12][c:13]([I:17])[cH:14][cH:15][c:16]12.[C:25](=[O:26])([O-:27])[O-:28].[C:39]([O-:40])(=[O:41])[CH3:42].[C:44]([O-:45])(=[O:46])[CH3:47].[CH3:18][N:19]1[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1.[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Cs+:29].[Cs+:30].[OH2:31].[Pd+2:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[cH:9][cH:10][c:11]2[cH:12][c:13]([N:22]3[CH2:21][CH2:20][N:19]([CH3:18])[CH2:24][CH2:23]3)[cH:14][cH:15][c:16]12