HRID87693

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID616002

4-Biphenylcarboxylic acid, 4'-chloro-

C13H9ClO2

HCID18435942

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)Cc1cnc2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)c(OC)cc2c1

HCID18436058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5dec6a9aed24d30b98972b9654abcd6
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

[CH2:23]([CH3:24])[N:25]([CH2:26][CH3:27])[CH2:28][c:29]1[cH:30][n:31][c:32]2[cH:33][c:34]([NH2:41])[c:35]([O:39][CH3:40])[cH:36][c:37]2[cH:38]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Cl:17][C:18]([C:19]([Cl:20])=[O:21])=[O:22].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14](=[O:15])[OH:16])[cH:12][cH:13]2)[cH:6][cH:7]1.[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14](=[O:16])[NH:41][c:34]3[cH:33][c:32]4[n:31][cH:30][c:29]([CH2:28][N:25]([CH2:23][CH3:24])[CH2:26][CH3:27])[cH:38][c:37]4[cH:36][c:35]3[O:39][CH3:40])[cH:12][cH:13]2)[cH:6][cH:7]1