HRID1236943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID222

Ammonia gas

H3N

HCID260

Hydrogen Bromide

BrH

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID24813

Phosphorus oxychloride

Cl3OP

HCID11223208

未命名化合物

PRODUCTS

产物

HCID259

Bromide

Br-

HCID24848375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-27cf4dd0fed74bd99a15da11cd006674
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[BrH:36].[CH3:1][C:2]1([CH3:5])[N:3]=[C:4]([c:7]2[cH:8][c:9]3[c:13]([cH:14][cH:15]2)[C:12]([c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)([CH2:23][CH2:24][CH2:25][N:26]([CH3:27])[CH3:28])[O:11][CH2:10]3)[O:29][CH2:6]1.[CH3:43][C:44](=[O:45])[CH3:46].[NH3:35].[OH2:47].[P:30]([Cl:31])([Cl:32])([Cl:33])=[O:34].[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[Br-:36].[N:3]#[C:4][c:7]1[cH:8][c:9]2[c:13]([cH:14][cH:15]1)[C:12]([c:16]1[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]1)([CH2:23][CH2:24][CH2:25][NH+:26]([CH3:27])[CH3:28])[O:11][CH2:10]2