HRID1234394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1

HCID49835909

tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate

C16H28BNO4

HCID59128592

1-[4-(4-Amino-3-bromophenyl)-1-piperidinyl]ethanone

C13H17BrN2O

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCC(c2ccc(N)c(C3=CCCN(C(=O)OC(C)(C)C)C3)c2)CC1

HCID59128581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ceb60bdbccf46ae9b4395cba7ae142f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]=[C:12]([B:14]2[O:15][C:16]([CH3:17])([CH3:18])[C:19]([CH3:20])([CH3:21])[O:22]2)[CH2:13]1.[C:40](=[O:41])([O-:42])[O-:43].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][CH2:54][OH:55].[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[NH2:23][c:24]1[c:25]([Br:39])[cH:26][c:27]([CH:30]2[CH2:31][CH2:32][N:33]([C:36]([CH3:37])=[O:38])[CH2:34][CH2:35]2)[cH:28][cH:29]1.[Na+:44].[Na+:45].[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]=[C:12]([c:25]2[c:24]([NH2:23])[cH:29][cH:28][c:27]([CH:30]3[CH2:31][CH2:32][N:33]([C:36]([CH3:37])=[O:38])[CH2:34][CH2:35]3)[cH:26]2)[CH2:13]1