HRID936687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID227254

3-Chloro-6-methylpyridazine

C5H5ClN2

HCID4574913

未命名化合物

HCID10398680

tert-Butyl 2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate

C11H17N3O2

PRODUCTS

生成物

结构：Cc1ccc(-n2cc3c(n2)CCN(C(=O)OC(C)(C)C)C3)nn1

HCID57356885

tert-Butyl 2-(6-methylpyridazin-3-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate

C16H21N5O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d00e7a0b69540dca4bc7d1cb4e8afca
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:25][C:26]([CH3:27])([O-:28])[CH3:29].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Cl:17][c:18]1[n:19][n:20][c:21]([CH3:24])[cH:22][cH:23]1.[Na+:30].[O:40]=[C:41]([CH:42]=[CH:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[Pd:38].[Pd:39].[nH:1]1[n:2][cH:3][c:4]2[c:9]1[CH2:8][CH2:7][N:6]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:5]2>>[n:1]1[n:2](-[c:18]2[n:19][n:20][c:21]([CH3:24])[cH:22][cH:23]2)[cH:3][c:4]2[c:9]1[CH2:8][CH2:7][N:6]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:5]2