HRID2348429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)N1CCCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(OCc4ccccc4)cccc32)C1

HCID21188484

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(O)cccc32)C1

HCID21188576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5568b9f1678408081ae772f6cc88b74
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

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