HRID178946

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID11208889

bis(4-fluorophenyl)(piperidin-4-yl)methanol

C18H19F2NO

结构：CN(CCBr)C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID19763374

未命名化合物

PRODUCTS

生成物

结构：CN(CCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID20029990

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0705e2237ec44a84882120931f7a8e58
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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