HRID185609

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID14575314

1-[(3-Bromopropyl)sulfanyl]-4-fluorobenzene

C9H10BrFS

HCID68584942

2-Butyl-1-(4-piperidinyl)-1H-benzimidazole

C16H23N3

PRODUCTS

生成物

结构：CCCCc1nc2ccccc2n1C1CCN(CCCSc2ccc(F)cc2)CC1

HCID58599522

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f00b73d9b76f46e19e0165dc5582ba26
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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