HRID124707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID10616499

Methyl 4-[(1-Boc-piperidin-4-ylidene)methyl]benzoate

C19H25NO4

HCID10909877

3-(2-aminoethoxy)benzonitrile

C9H10N2O

PRODUCTS

产物

HCID68834821

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-80cbbfc8ce294daeb4730d58701e5cd2
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

[BrH:41].[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH2:11][CH2:12][C:13](=[CH:16][c:17]2[cH:18][cH:19][c:20]([C:21](=[O:22])[O:23][CH3:24])[cH:25][cH:26]2)[CH2:14][CH2:15]1.[CH3:28][N:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[CH3:60][CH2:61][OH:62].[Cl:35][C:36]([O:37][CH2:38][CH3:39])=[O:40].[ClH:27].[NH2:42][CH2:43][CH2:44][O:45][c:46]1[cH:47][c:48]([C:49]#[N:50])[cH:51][cH:52][cH:53]1.[Na+:2].[OH-:1].[OH2:54]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH2:11][CH2:12][C:13](=[CH:16][c:17]2[cH:18][cH:19][c:20]([C:21](=[O:22])[NH:42][CH2:43][CH2:44][O:45][c:46]3[cH:47][c:48]([C:49]#[N:50])[cH:51][cH:52][cH:53]3)[cH:25][cH:26]2)[CH2:14][CH2:15]1