HRID101355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID142179

4-Acetylpyrazole

C6H8N2O2

HCID58127549

未命名化合物

PRODUCTS

生成物

HCID58127672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23d980e0e0a945aeb160524c6cdec3cc
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:1][c:2]1[s:3][c:4]([CH3:9])[c:5]([CH2:7][OH:8])[n:6]1.[Cl-:53].[NH4+:54].[O:39]=[C:40]([O:41][CH:42]([CH3:43])[CH3:44])[N:45]=[N:46][C:47]([O:48][CH:49]([CH3:50])[CH3:51])=[O:52].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[c:10]1([P:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1.[nH:29]1[n:30][cH:31][c:32]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:33]1>>[Br:1][c:2]1[s:3][c:4]([CH3:9])[c:5]([CH2:7][n:29]2[n:30][cH:31][c:32]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:33]2)[n:6]1