HRID2330423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

2 次

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID33558

Azide

N3-

HCID2778787

2-Bromo-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethan-1-one

C9H5BrF4O

PRODUCTS

生成物

HCID56971690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79d521c90cd54f80b360ab59d29a9d26
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][CH2:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([C:12]([F:13])([F:14])[F:15])[c:8]([F:11])[cH:9][cH:10]1.[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[N-:17]=[N+:18]=[N-:19].[Na+:16].[OH2:39].[OH2:51].[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:34][cH:35][cH:36][cH:37][cH:38]1.[c:40]1([CH3:41])[cH:42][cH:43][c:44]([S:45]([OH:46])(=[O:47])=[O:48])[cH:49][cH:50]1>>[CH2:2]([C:3](=[O:4])[c:5]1[cH:6][c:7]([C:12]([F:13])([F:14])[F:15])[c:8]([F:11])[cH:9][cH:10]1)[NH2:17]