HRID191501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

3 次

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

HCID105144

Palladium(2+)

Pd+2

HCID14041195

未命名化合物

PRODUCTS

生成物

HCID76828909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae6f8a7192354094bc9bf2b01f43e8bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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