HRID98480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID240

Benzaldehyde

C7H6O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID2724942

未命名化合物

HCID2756371

tert-Butyl 6-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate

C14H20N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2cc(NCc3ccccc3)ccc2C1

HCID67222829

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-123bdbe8b8564aebab6f0e668de48d33
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][cH:12][c:13]([NH2:18])[cH:14][c:15]2[CH2:16][CH2:17]1.[C:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[CH3:27][C:28](=[O:29])[OH:30].[CH:19](=[O:20])[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[Cl:45][CH2:46][Cl:47].[Na+:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][cH:12][c:13]([NH:18][CH2:19][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:14][c:15]2[CH2:16][CH2:17]1