HRID2132638

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID256593

Malonanilic acid

C9H9NO3

HCID59424430

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(=O)Nc1ccc(Oc2ccnc3ccsc23)c(F)c1)Nc1ccccc1

HCID45488043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4941632b33334b0d8b6b66f442d4f861
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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