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

Phosphoric trichloride

Cl3OP

结构：CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C3=NC(C)(C)CO3)ccc21

HCID11223208

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：C[NH+](C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21

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