HRID2322062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

结构：CCCc1nc(C)n(-c2ccc3c(c2)C(O)CC(C)(C)O3)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

HCID135955882

未命名化合物

PRODUCTS

生成物

HCID136026963

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcdcdde9d7a745a2a7eba405fed25801
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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