HRID135598

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID7046

1,2,3,4-Tetrahydroisoquinoline

C9H11N

HCID19660

Carbonate

CO3-2

HCID78282

Benzoyl chloride, 3,4,5-trimethoxy-

C10H11ClO4

HCID85570

Tosylate

C7H7O3S-

HCID13529917

2-Methyl-1,2,3,4-tetrahydroisoquinolin-8-amine

C10H14N2

HCID21436751

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)Nc2cccc3c2CN(C)CC3)cc(OC)c1OC

HCID216590

Benzamide, N-(1,2,3,4-tetrahydro-2-methylisoquinolin-8-yl)-3,4,5-trimethoxy-

C20H24N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b193dff65a924eb2a57c9a60ebefd272
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:38](=[O:39])([OH:40])[O-:41].[CH2:58]1[c:59]2[c:60]([cH:61][cH:62][cH:63][cH:64]2)[CH2:65][CH2:66][NH:67]1.[CH3:43][O:44][c:45]1[cH:46][c:47]([C:48](=[O:49])[Cl:50])[cH:51][c:52]([O:56][CH3:57])[c:53]1[O:54][CH3:55].[K+:42].[N+:24]([c:25]1[cH:26][cH:27][cH:28][c:29]2[c:30]1[cH:31][n+:32]([CH3:33])[cH:34][cH:35]2)([O-:36])=[O:37].[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[CH2:10][N:9]([CH3:12])[CH2:8][CH2:7]2.[Na+:74].[Na+:75].[O-:76][C:77](=[O:78])[O-:79].[c:13]1([CH3:14])[cH:15][cH:16][c:17]([S:18]([O-:19])(=[O:20])=[O:21])[cH:22][cH:23]1.[cH:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[CH2:10][N:9]([CH3:12])[CH2:8][CH2:7]2)[C:48]([c:47]1[cH:46][c:45]([O:44][CH3:43])[c:53]([O:54][CH3:55])[c:52]([O:56][CH3:57])[cH:51]1)=[O:49]