HRID320315

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID59850202

未命名化合物

HCID178477777

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

HCID16071136

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ce41b7103a544d7e83a6002bc4eb5145
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[Br-:30].[Br:1][c:2]1[c:3]([C:26]([F:27])([F:28])[F:29])[cH:4][c:5]2[c:6]([n:7]([CH:11]3[CH2:12][CH2:13][N:14]([C:17]4([C:23]#[N:24])[CH2:18][CH2:19][O:20][CH2:21][CH2:22]4)[CH2:15][CH2:16]3)[c:8](=[O:10])[nH:9]2)[cH:25]1.[CH3:31][Mg+:32].[CH3:33][CH2:34][O:35][CH2:36][CH3:37].[Cl-:38].[NH4+:39].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH2:45]>>[Br:1][c:2]1[c:3]([C:26]([F:27])([F:28])[F:29])[cH:4][c:5]2[c:6]([n:7]([CH:11]3[CH2:12][CH2:13][N:14]([C:17]4([CH3:23])[CH2:18][CH2:19][O:20][CH2:21][CH2:22]4)[CH2:15][CH2:16]3)[c:8](=[O:10])[nH:9]2)[cH:25]1.[ClH:38]