HRID194926

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

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2734615

4-Aminophenylboronic acid

C6H8BNO2

结构：CC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc(N3CC4CCC(C3)O4)n2)CC1

HCID86636518

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(N)cc3)nc(N3CC4CCC(C3)O4)n2)CC1

HCID67021837

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03454203f1074c37861d6cba4418b733
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

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