HRID2136345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

HCID72971

4-Butoxybenzoic acid

C11H14O3

HCID18475741

未命名化合物

PRODUCTS

生成物

结构：CCCCOc1ccc(C(=O)NC2CCc3cccc(C4CCN(C)CC4)c3C2)cc1

HCID18475783

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ca79f9bdbfc42fb92090a1f2f9a1d41
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]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]1.[CH2:44]([Cl:45])[Cl:46].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[NH2:15][CH:16]1[CH2:17][c:18]2[c:19]([CH:26]3[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]3)[cH:20][cH:21][cH:22][c:23]2[CH2:24][CH2:25]1.[S:40]([Cl:41])([Cl:42])=[O:43]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]([C:10](=[O:12])[NH:15][CH:16]2[CH2:17][c:18]3[c:19]([CH:26]4[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]4)[cH:20][cH:21][cH:22][c:23]3[CH2:24][CH2:25]2)[cH:13][cH:14]1