HRID1239127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

结构：COC(=O)C(Cc1ccccc1)Oc1ccc2cc(C[NH3+])ccc2c1Br

HCID18505291

未命名化合物

HCID21890847

4-Cyclohexylbenzoyl chloride

C13H15ClO

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccccc1)Oc1ccc2cc(CNC(=O)c3ccc(C4CCCCC4)cc3)ccc2c1Br

HCID69138717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e68c08093c234998a443eccda07f47e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:16][c:17]1[c:18]2[cH:19][cH:20][c:21]([CH2:40][NH3+:41])[cH:22][c:23]2[cH:24][cH:25][c:26]1[O:27][CH:28]([CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[C:36](=[O:37])[O:38][CH3:39].[CH2:50]([Cl:51])[Cl:52].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH:1]1([c:7]2[cH:8][cH:9][c:10]([C:11](=[O:12])[Cl:13])[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl-:42]>>[CH:1]1([c:7]2[cH:8][cH:9][c:10]([C:11](=[O:12])[NH:41][CH2:40][c:21]3[cH:20][cH:19][c:18]4[c:17]([Br:16])[c:26]([O:27][CH:28]([CH2:29][c:30]5[cH:31][cH:32][cH:33][cH:34][cH:35]5)[C:36](=[O:37])[O:38][CH3:39])[cH:25][cH:24][c:23]4[cH:22]3)[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1