HRID2128876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID549404

Ethyl 1H-imidazole-2-carboxylate

C6H8N2O2

HCID39126248

未命名化合物

HCID58337071

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1nccn1Cc1c(-c2ccc(C)cc2)nc2ccc(C)cn12

HCID67028673

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65b7d43c516b47d0819436c1530a6a38
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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