HRID1568095

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID3283

Diethyl Ether

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID38384

2-Bromoacetamidopyridine

C7H6BrNO

结构：O=C(NC1CN2CCC1CC2)OC(c1cccc(F)c1)c1cccc(F)c1

HCID70925809

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：O=C(NC1C[N+]2(CC(=O)c3ccccn3)CCC1CC2)OC(c1cccc(F)c1)c1cccc(F)c1

HCID89106353

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b52dce58eec844b1a36b3cfe219203c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:2][CH2:3][C:4](=[O:5])[c:6]1[n:7][cH:8][cH:9][cH:10][cH:11]1.[BrH:1].[CH3:39][CH2:40][O:41][CH2:42][CH3:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[N:12]12[CH2:13][CH:14]([NH:20][C:21]([O:22][CH:23]([c:24]3[cH:25][c:26]([F:30])[cH:27][cH:28][cH:29]3)[c:31]3[cH:32][c:33]([F:37])[cH:34][cH:35][cH:36]3)=[O:38])[CH:15]([CH2:16][CH2:17]1)[CH2:18][CH2:19]2>>[Br-:2].[CH2:3]([C:4](=[O:5])[c:6]1[n:7][cH:8][cH:9][cH:10][cH:11]1)[N+:12]12[CH2:13][CH:14]([NH:20][C:21]([O:22][CH:23]([c:24]3[cH:25][c:26]([F:30])[cH:27][cH:28][cH:29]3)[c:31]3[cH:32][c:33]([F:37])[cH:34][cH:35][cH:36]3)=[O:38])[CH:15]([CH2:16][CH2:17]1)[CH2:18][CH2:19]2