HRID173462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID33558

Azide

N3-

HCID2778386

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

C9H6BrF3O

PRODUCTS

生成物

HCID85570

Tosylate

C7H7O3S-

HCID13365884

2-Amino-1-[3-(trifluoromethyl)phenyl]ethan-1-one

C9H8F3NO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa5d9bf1db424da8be32effe9713dc89
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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