HRID204226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID7403

4-tert-Butylbenzoic acid

C11H14O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID12332441

未命名化合物

PRODUCTS

生成物

结构：Cc1ncc(CNC(=O)c2ccc(C(C)(C)C)cc2)c2c1OC(C)(C)OC2

HCID58636833

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ef62a0c3d2247cc8888dba607ae95a2
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:16]([CH3:17])([CH3:18])([CH3:19])[c:20]1[cH:21][cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28]1.[C:33](=[O:34])([OH:35])[O-:36].[CH2:29]([Cl:30])[CH2:31][Cl:32].[CH3:1][C:2]1([CH3:15])[O:3][CH2:4][c:5]2[c:6]([c:7]([CH3:13])[n:8][cH:9][c:10]2[CH2:11][NH2:12])[O:14]1.[CH3:38][N:39]([c:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1)[CH3:46].[Cl:47][CH2:48][Cl:49].[Na+:37]>>[CH3:1][C:2]1([CH3:15])[O:3][CH2:4][c:5]2[c:6]([c:7]([CH3:13])[n:8][cH:9][c:10]2[CH2:11][NH:12][C:24]([c:23]2[cH:22][cH:21][c:20]([C:16]([CH3:17])([CH3:18])[CH3:19])[cH:28][cH:27]2)=[O:25])[O:14]1