HRID91920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID219302

Oxane-4-carboxylic acid

C6H10O3

结构：CN(C(=O)N(C)C1CNCC1c1ccc(F)cc1)c1cc(Br)cc(C(F)(F)F)c1

HCID123576078

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)N(C)C1CN(C(=O)C2CCOCC2)CC1c1ccc(F)cc1)c1cc(Br)cc(C(F)(F)F)c1

HCID178485893

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-369b1ab0fec847dcb71c11c0f0a10213
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

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