HRID812574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

结构：CC(C)(C)c1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

HCID39380

4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone

C32H39NO2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)(C)c1ccc(C(=O)CCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1

HCID20379987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b66b776519054e258d1467d882fd281d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]([CH2:12][CH2:13][CH2:14][N:15]2[CH2:16][CH2:17][CH:18]([C:21]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[OH:34])[CH2:19][CH2:20]2)=[O:35])[cH:9][cH:10]1.[CH2:38]([OH:39])[CH2:40][CH2:41][CH3:42].[ClH:36].[OH2:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]([CH2:12][CH2:13][CH2:14][N:15]2[CH2:16][CH2:17][C:18](=[C:21]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[CH2:19][CH2:20]2)=[O:35])[cH:9][cH:10]1.[ClH:36]