HRID106502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID4961739

1-(1-chloroethyl)-4-fluorobenzene

C8H8ClF

结构：c1ccc(CCN2CCC(Nc3nc4ccccc4[nH]3)CC2)cc1

HCID12891523

N-[1-(2-Phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-amine

C20H24N4

PRODUCTS

生成物

结构：CC(c1ccc(F)cc1)n1c(NC2CCN(CCc3ccccc3)CC2)nc2ccccc21

HCID12891720

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86636dadcaa34ea19c48fa475457e66c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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