HRID2318009

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID87792

4-Bromothiophene-2-carbaldehyde

C5H3BrOS

HCID2774452

未命名化合物

HCID17985235

未命名化合物

PRODUCTS

生成物

结构：CC1C(=O)N(Cc2ccc3c(Cl)ccnc3c2)CCN1C(=O)C=Cc1cc(Br)cs1

HCID57209990

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c294d6eecb8d42b0870516787826409e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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