HRID684663

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

3 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID1084

Thiosulfate(2-)

O3S2-2

HCID8028

Tetrahydrofuran

C4H8O

HCID15914

Phenyltrimethylammonium

C9H14N+

3 次

结构：CC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

HCID11265720

1-[4-(Benzyloxy)-3-nitrophenyl]ethan-1-one

C15H13NO4

PRODUCTS

生成物

结构：O=C(CBr)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

HCID11089410

1-[4-(Benzyloxy)-3-nitrophenyl]-2-bromoethan-1-one

C15H12BrNO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f4a1ae49fd344b8b08225198a258ebf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br-:1].[Br-:2].[Br-:3].[C:54](=[O:55])([OH:56])[O-:57].[CH2:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[O:41][c:42]1[c:43]([N+:51](=[O:52])[O-:53])[cH:44][c:45]([C:48]([CH3:49])=[O:50])[cH:46][cH:47]1.[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[Na+:58].[Na+:64].[Na+:65].[S:59]([O-:60])([O-:61])(=[O:62])=[S:63].[c:14]1([N+:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20][cH:21][cH:22][cH:23]1.[c:24]1([N+:25]([CH3:26])([CH3:27])[CH3:28])[cH:29][cH:30][cH:31][cH:32][cH:33]1.[c:4]1([N+:5]([CH3:6])([CH3:7])[CH3:8])[cH:9][cH:10][cH:11][cH:12][cH:13]1>>[Br:1][CH2:49][C:48]([c:45]1[cH:44][c:43]([N+:51](=[O:52])[O-:53])[c:42]([O:41][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:47][cH:46]1)=[O:50]