HRID2148819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

结构：C=CCn1c(CC(C)(C)C(=O)O)c(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc21

HCID18947555

未命名化合物

PRODUCTS

生成物

HCID18947554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79aeb25a6456409982231f1625153993
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

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