HRID106224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID6342

Acetonitrile

C2H3N

HCID12747056

4-(3-Bromopropyl)pyridine

C8H10BrN

结构：O=C(OC1CN2CCC1CC2)C1(c2ccccc2)CCCCCC1

HCID66885894

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：O=C(OC1C[N+]2(CCCc3ccncc3)CCC1CC2)C1(c2ccccc2)CCCCCC1

HCID67311895

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9993c3727f7a4d55ae88817180d753ad
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:2][CH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][n:9][cH:10][cH:11]1.[BrH:1].[CH3:38][CH2:39][O:40][CH2:41][CH3:42].[CH3:43][C:44]#[N:45].[N:14]12[CH2:15][CH:16]([O:22][C:23](=[O:24])[C:25]3([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]3)[CH:17]([CH2:18][CH2:19]1)[CH2:20][CH2:21]2.[Na+:13].[OH-:12]>>[Br-:2].[CH2:3]([CH2:4][CH2:5][c:6]1[cH:7][cH:8][n:9][cH:10][cH:11]1)[N+:14]12[CH2:15][CH:16]([O:22][C:23](=[O:24])[C:25]3([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]3)[CH:17]([CH2:18][CH2:19]1)[CH2:20][CH2:21]2