HRID86429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID15458

tert-Butyl acrylate

C7H12O2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID16228747

6-Benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine

C15H15ClN2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C=Cc1ccc2c(n1)CCN(Cc1ccccc1)C2

HCID73713774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1befdba98a114209ad4b59a91e9e5bff
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]([P:2]([C:3]([CH3:4])([CH3:5])[CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])([CH3:11])([CH3:12])[CH3:13].[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37]([CH:38]=[CH2:39])=[O:40].[CH2:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[N:21]1[CH2:22][c:23]2[cH:24][cH:25][c:26]([Cl:31])[n:27][c:28]2[CH2:29][CH2:30]1.[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[O:56]=[C:57]([CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:54].[Pd:55]>>[CH2:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[N:21]1[CH2:22][c:23]2[cH:24][cH:25][c:26]([CH:39]=[CH:38][C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:40])[n:27][c:28]2[CH2:29][CH2:30]1