HRID1124623

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl Acetate

C4H8O2

HCID82408

Isopropyl sulfonyl chloride

C3H7ClO2S

HCID11324722

5-bromo-3-(4-piperidinyl)-1H-indole-7-carboxamide

C14H16BrN3O

PRODUCTS

产物

HCID57732627

5-bromo-3-{1-[(1-methylethyl)sulfonyl]-4-piperidinyl}-1H-indole-7-carboxamide

C17H22BrN3O3S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-da8f224681854171a93f2e84c24457c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[Br:9][c:10]1[cH:11][c:12]2[c:13]([CH:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[cH:14][nH:15][c:16]2[c:17]([C:19](=[O:20])[NH2:21])[cH:18]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:28][CH:29]([CH3:30])[S:31](=[O:32])(=[O:33])[Cl:34].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[ClH:8].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[OH2:46]>>[Br:9][c:10]1[cH:11][c:12]2[c:13]([CH:22]3[CH2:23][CH2:24][N:25]([S:31]([CH:29]([CH3:28])[CH3:30])(=[O:32])=[O:33])[CH2:26][CH2:27]3)[cH:14][nH:15][c:16]2[c:17]([C:19](=[O:20])[NH2:21])[cH:18]1