HRID953282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID2737715

4-Methyl-3-(trifluoromethyl)aniline

C8H8F3N

HCID57455159

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cccc3cc(Oc4ccnc(N)n4)ccc23)cc1C(F)(F)F

HCID67406449

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c7715928d764b3ebea8e95c682ae742
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:22][c:23]1[c:24]([C:30]([F:31])([F:32])[F:33])[cH:25][c:26]([NH2:27])[cH:28][cH:29]1.[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([C:19](=[O:20])[OH:21])[c:16]3[cH:17][cH:18]2)[n:7]1.[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:34]>>[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([C:19](=[O:20])[NH:27][c:26]4[cH:25][c:24]([C:30]([F:31])([F:32])[F:33])[c:23]([CH3:22])[cH:29][cH:28]4)[c:16]3[cH:17][cH:18]2)[n:7]1