HRID2131428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID21984128

6-Bromo-4-chloro-3-nitroquinoline

C9H4BrClN2O2

HCID67007713

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CCN(c2ccc(Nc3c([N+](=O)[O-])cnc4ccc(Br)cc34)cc2C(F)(F)F)CC1

HCID67008148

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6adba48a04547dda688b6754e8a2c62
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

[Br:1][c:2]1[cH:3][c:4]2[c:5]([Cl:15])[c:6]([N+:12](=[O:13])[O-:14])[cH:7][n:8][c:9]2[cH:10][cH:11]1.[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[NH2:16][c:17]1[cH:18][c:19]([C:33]([F:34])([F:35])[F:36])[c:20]([N:23]2[CH2:24][CH2:25][CH:26]([C:29](=[O:30])[O:31][CH3:32])[CH2:27][CH2:28]2)[cH:21][cH:22]1.[Na+:41].[O-:37][C:38]([OH:39])=[O:40].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([NH:16][c:17]3[cH:18][c:19]([C:33]([F:34])([F:35])[F:36])[c:20]([N:23]4[CH2:24][CH2:25][CH:26]([C:29](=[O:30])[O:31][CH3:32])[CH2:27][CH2:28]4)[cH:21][cH:22]3)[c:6]([N+:12](=[O:13])[O-:14])[cH:7][n:8][c:9]2[cH:10][cH:11]1