HRID2349015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(CC2(O)CCN(CCOc3ccc(OCc4ccccc4)cc3)CC2)cc1

HCID10504454

未命名化合物

HCID10536242

4-(4-methylbenzyl)-piperidin-4-ol

C13H19NO

HCID10757088

1-(Benzyloxy)-4-(2-bromoethoxy)benzene

C15H15BrO2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1

HCID6918409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9df986a500934ba2b7896a28dfa86f6d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:68](=[O:69])([O-:70])[O-:71].[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[cH:11][cH:12][c:13]([O:14][CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][C:20]([CH2:23][c:24]3[cH:25][cH:26][c:27]([CH3:30])[cH:28][cH:29]3)([OH:31])[CH2:21][CH2:22]2)[cH:32][cH:33]1.[CH2:34]([O:35][c:36]1[cH:37][cH:38][c:39]([O:40][CH2:41][CH2:42][Br:43])[cH:44][cH:45]1)[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:53][c:54]1[cH:55][cH:56][c:57]([CH2:58][C:59]2([OH:60])[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]2)[cH:66][cH:67]1.[CH3:75][C:76]#[N:77].[CH3:78][OH:79].[ClH:1].[ClH:52].[ClH:74].[K+:72].[K+:73]>>[ClH:1].[OH:9][c:10]1[cH:11][cH:12][c:13]([O:14][CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][C:20]([CH2:23][c:24]3[cH:25][cH:26][c:27]([CH3:30])[cH:28][cH:29]3)([OH:31])[CH2:21][CH2:22]2)[cH:32][cH:33]1