HRID104869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID10371

3-Pyridinecarboxaldehyde

C6H5NO

HCID19507

1-Azabicyclo[2.2.2]octan-3-one

C7H11NO

HCID28123

Tetrahydroborate

H4B-

HCID611822

2-(3-pyridylmethylene)-1-azabicyclo[2.2.2]octan-3one

C13H14N2O

反应SMILES：O=C1C2CCN(CC2)C1C(c1ccccc1)c1cccnc1

HCID22311374

未命名化合物

HCID178418255

未命名化合物

PRODUCTS

产物

HCID22311394

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-81efc6ddd9f4491da3081156f6ef905d
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

[BH4-:65].[Br:57][Mg:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH3:67][CH2:68][OH:69].[ClH:9].[N:10]12[CH2:11][CH2:12][CH:13]([CH2:14][CH2:15]1)[C:16](=[O:17])[CH2:18]2.[Na+:66].[c:35]1([CH:41]([c:42]2[cH:43][n:44][cH:45][cH:46][cH:47]2)[CH:48]2[N:49]3[CH2:50][CH2:51][CH:52]([C:53]2=[O:54])[CH2:55][CH2:56]3)[cH:36][cH:37][cH:38][cH:39][cH:40]1.[n:19]1[cH:20][cH:21][cH:22][c:23]([CH:24]=[C:25]2[C:26](=[O:27])[CH:28]3[CH2:29][CH2:30][N:31]2[CH2:32][CH2:33]3)[cH:34]1.[n:1]1[cH:2][cH:3][cH:4][c:5]([CH:6]=[O:7])[cH:8]1>>[c:35]1([CH:41]([c:42]2[cH:43][n:44][cH:45][cH:46][cH:47]2)[CH:48]2[N:49]3[CH2:50][CH2:51][CH:52]([CH:53]2[OH:54])[CH2:55][CH2:56]3)[cH:36][cH:37][cH:38][cH:39][cH:40]1