HRID2345950

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID95102

1,1-Dimethylethanolamine

C4H11NO

结构：Cc1onc(-c2ccc(F)cc2)c1CNc1cc(C(=O)O)[nH]n1

HCID66643764

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2ccc(F)cc2)c1CNc1cc(C(=O)NCC(C)(C)O)[nH]n1

HCID49793130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b9c24f9c5cd48d5b64b5595b9fd2920
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

[CH2:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42])[CH3:43].[Cl-:51].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH3:23])[c:12]2[CH2:13][NH:14][c:15]2[cH:16][c:17]([C:20](=[O:21])[OH:22])[nH:18][n:19]2)[cH:6][cH:7]1.[Na+:50].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:24].[OH:25][n:26]1[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1.[OH:44][C:45]([CH2:46][NH2:47])([CH3:48])[CH3:49]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH3:23])[c:12]2[CH2:13][NH:14][c:15]2[cH:16][c:17]([C:20](=[O:22])[NH:47][CH2:46][C:45]([OH:44])([CH3:48])[CH3:49])[nH:18][n:19]2)[cH:6][cH:7]1