HRID2313053

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID826989

6-amino-1,3-benzoxazol-2(3H)-one

C7H6N2O2

结构：O=C(Cc1ccc(Cl)cc1F)Nc1nc2ccc(C(=O)O)cc2s1

HCID86661382

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccc(Cl)cc1F)Nc1nc2ccc(C(=O)Nc3ccc4[nH]c(=O)oc4c3)cc2s1

HCID46940548

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0dfd33c078ab4e459dafb3ef91da5af9
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

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