HRID110055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID27833

2-Ethoxy-1-(ethoxycarbonyl)-1,2-dihydroquinoline

C14H17NO3

HCID545147

PIVALIC ACID HYDRAZIDE

C5H12N2O

结构：CC1(C)OC2C(C(=O)O)OC(n3cnc4c(Cl)ncnc43)C2O1

HCID14374714

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OC2C(C(=O)NNC(=O)C(C)(C)C)OC(n3cnc4c(Cl)ncnc43)C2O1

HCID178431248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a368a11650c4656a4ca5f5fecf60d58
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

[CH2:32]([O:33][CH:34]1[CH:35]=[CH:36][c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[N:43]1[C:44]([O:45][CH2:46][CH3:47])=[O:48])[CH3:49].[CH3:24][C:25]([C:26](=[O:27])[NH:28][NH2:29])([CH3:30])[CH3:31].[Cl:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH:11]3[O:12][CH:13]([C:21](=[O:22])[OH:23])[CH:14]4[CH:15]3[O:16][C:17]([CH3:19])([CH3:20])[O:18]4)[c:7]2[n:8][cH:9][n:10]1.[OH:50][C:51]([CH2:52][C:53]([C:54](=[O:55])[OH:56])([CH2:57][C:58](=[O:59])[OH:60])[OH:61])=[O:62]>>[Cl:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH:11]3[O:12][CH:13]([C:21](=[O:22])[NH:29][NH:28][C:26]([C:25]([CH3:24])([CH3:30])[CH3:31])=[O:27])[CH:14]4[CH:15]3[O:16][C:17]([CH3:19])([CH3:20])[O:18]4)[c:7]2[n:8][cH:9][n:10]1