HRID87793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID8857

Ethyl acetate

C4H8O2

HCID123114

Cyclopropanecarboxaldehyde

C4H6O

结构：CN(CC1(c2ccc(I)cc2)CCNCC1)C(=O)Nc1cc(Cl)cc(Cl)c1

HCID22490367

未命名化合物

PRODUCTS

生成物

结构：CN(CC1(c2ccc(I)cc2)CCN(CC2CC2)CC1)C(=O)Nc1cc(Cl)cc(Cl)c1

HCID68530554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b896c424c3604cebaf15180f2b8ef6c4
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

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