HRID96687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID8021

Diethylamine

C4H11N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：COc1ccc(-c2cnc(Nc3ccc(CCC(=O)O)cc3)nc2)cc1

HCID57632619

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)CCc1ccc(Nc2ncc(-c3ccc(OC)cc3)cn2)cc1

HCID57632944

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2a454fcfaad4c9c9366794dbe9b5ca3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]([CH3:2])[NH:3][CH2:4][CH3:5].[CH2:6]([Cl:7])[CH2:8][Cl:9].[CH3:10][O:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[cH:19][n:20][c:21]([NH:24][c:25]3[cH:26][cH:27][c:28]([CH2:31][CH2:32][C:33](=[O:34])[OH:35])[cH:29][cH:30]3)[n:22][cH:23]2)[cH:16][cH:17]1.[CH3:38][N:39]([c:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1)[CH3:46].[CH3:50][N:51]1[CH2:52][CH2:53][CH2:54][C:55]1=[O:56].[Cl-:36].[Cl:47][CH2:48][Cl:49].[NH4+:37]>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH3:5])[C:33]([CH2:32][CH2:31][c:28]1[cH:27][cH:26][c:25]([NH:24][c:21]2[n:20][cH:19][c:18](-[c:15]3[cH:14][cH:13][c:12]([O:11][CH3:10])[cH:17][cH:16]3)[cH:23][n:22]2)[cH:30][cH:29]1)=[O:35]