HRID281221

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID3682034

2-Thiopheneethanol, 2-(4-methylbenzenesulfonate)

C13H14O3S2

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：c1ccc(CCN2CCC(Nc3nc4ccccc4n3CCc3cccs3)CC2)cc1

HCID12891721

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1da7df7b58e74aa1afd1493e0a4df295
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:25][c:26]1[cH:27][cH:28][c:29]([S:30]([O:31][CH2:36][CH2:37][c:38]2[s:39][cH:40][cH:41][cH:42]2)(=[O:32])=[O:33])[cH:34][cH:35]1.[CH3:49][CH:50]([CH3:51])[CH2:52][C:53](=[O:54])[CH3:55].[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[c:1]1([CH2:7][CH2:8][N:9]2[CH2:10][CH2:11][CH:12]([NH:15][c:16]3[n:17][c:18]4[c:19]([nH:20]3)[cH:21][cH:22][cH:23][cH:24]4)[CH2:13][CH2:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][N:9]2[CH2:10][CH2:11][CH:12]([NH:15][c:16]3[n:17]([CH2:36][CH2:37][c:38]4[s:39][cH:40][cH:41][cH:42]4)[c:18]4[c:19]([n:20]3)[cH:21][cH:22][cH:23][cH:24]4)[CH2:13][CH2:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1