HRID98523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID5798

Benzimidazole

C7H6N2

HCID19660

Carbonate

CO3-2

HCID3145400

[3-(1H-Benzoimidazol-2-yl)-propyl]-methyl-amine

C11H15N3

HCID46855860

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCCN(C)CCCc1nc2ccccc2[nH]1)(c1ccc(Br)cc1)C(C)C

HCID25194889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b34e297b1f7442bda1ff5f36e0691a15
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

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