HRID2337513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID21081527

1-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid

C12H8FNO3

HCID86611734

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Nc2cc(Cl)nn3ccnc23)cc1)c1cccn(-c2ccc(F)cc2)c1=O

HCID59304423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d1df45991c143de9eac1b962e023913
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

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