HRID172130

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

HCID3862902

cyclohexen-1-ylboronic acid

C6H11BO2

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

HCID56834849

未命名化合物

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(C)(C)OC(=O)N1CCC(c2ccc(N)c(C3=CCCCC3)c2)CC1

HCID56834850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46f45411dd1f4c42b99c0aba1b07d417
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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