HRID293061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID13035

Piperidine, 2,2,6,6-tetramethyl-

C9H19N

HCID643373

2-methylnicotinic acid

C7H7NO2

HCID66661646

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：O=C(O)c1cccnc1CC1(O)CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1

HCID11603725

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e675624718914e44a6ff9f99f511f1f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:11]([Li:12])[CH2:13][CH2:14][CH3:15].[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:16][c:17]1[c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23][cH:24][n:25]1.[CH3:1][C:2]1([CH3:3])[CH2:4][CH2:5][CH2:6][C:7]([CH3:8])([CH3:9])[NH:10]1.[CH3:44][C:45](=[O:46])[OH:47].[CH3:53][CH2:54][CH2:55][CH2:56][CH2:57][CH3:58].[Cl:26][c:27]1[cH:28][cH:29][c:30]([C:33]2([C:36](=[O:37])[N:38]3[CH2:39][C:40](=[O:43])[CH2:41][CH2:42]3)[CH2:34][CH2:35]2)[cH:31][cH:32]1.[Na+:52].[O-:48][C:49]([OH:50])=[O:51]>>[CH2:16]([c:17]1[c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23][cH:24][n:25]1)[C:40]1([OH:43])[CH2:39][N:38]([C:36]([C:33]2([c:30]3[cH:29][cH:28][c:27]([Cl:26])[cH:32][cH:31]3)[CH2:34][CH2:35]2)=[O:37])[CH2:42][CH2:41]1