HRID207542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID875

2,3-Dihydroxybutanedioic acid

C4H6O6

HCID923

Sodium ion

Na+

3 次

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID166653

Hydride

H-

HCID2724942

未命名化合物

HCID15380699

1,1-Dimethylethyl 4-[(2-methylpropyl)amino]-1-piperidinecarboxylate

C14H28N2O2

HCID16686348

未命名化合物

HCID58678647

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(Cc1nccc2ccccc12)C1CCN(C(=O)OC(C)(C)C)CC1

HCID68575022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a5b8734879649d9a96adce187c3b9c4
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

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