HRID694186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID24386

Thionyl chloride

Cl2OS

HCID28320862

未命名化合物

HCID67548929

4-Chloro-5-ethyl-1H-imidazole-2-carboxylic acid

C6H7ClN2O2

PRODUCTS

生成物

结构：CCc1[nH]c(C(=O)Nc2ccc3c(c2)OCCN3Cc2ccc(C(=O)OC)cc2)nc1Cl

HCID67548473

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61c0d0bc42c84ee79f84c4167e77946a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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