HRID124251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID85570

Tosylate

C7H7O3S-

HCID4989215

Pyridinium

C5H6N+

结构：N=C(OC(c1ccc(Br)cc1)C1CCCCC1)C(Cl)(Cl)Cl

HCID69472997

未命名化合物

HCID178447176

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(OC(c1ccc(Br)cc1)C1CCCCC1)C(=O)NCC#N

HCID178447014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1a38c35baa9468887db3c69fe625140
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:22](#[N:23])[CH2:24][NH:25][C:26]([CH:27]([CH2:28][CH:29]([CH3:30])[CH3:31])[OH:32])=[O:33].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[Cl:1][C:2]([Cl:3])([Cl:4])[C:19](=[NH:20])[O:21][CH:5]([CH:6]1[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]1)[c:12]1[cH:13][cH:14][c:15]([Br:18])[cH:16][cH:17]1.[Cl:51][CH2:52][Cl:53].[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([O-:40])(=[O:41])=[O:42])[cH:43][cH:44]1.[nH+:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[CH:5]([CH:6]1[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]1)([c:12]1[cH:13][cH:14][c:15]([Br:18])[cH:16][cH:17]1)[O:32][CH:27]([C:26]([NH:25][CH2:24][C:22]#[N:23])=[O:33])[CH2:28][CH:29]([CH3:30])[CH3:31]