HRID667239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID12069231

8-OXA-3-AZABICYCLO[3.2.1]OCTANE

C6H11NO

结构：Oc1cccc(-c2nc(Br)c3cnn(-c4ccccc4)c3n2)c1

HCID57424739

未命名化合物

PRODUCTS

生成物

结构：Oc1cccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(-c4ccccc4)c3n2)c1

HCID25261226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d976d6831544fe6a55c1ea37f4051cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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