HRID699432

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID57688184

未命名化合物

结构：CC(=O)c1nn(C)c(-c2ccc(C(F)(F)F)cc2)c1O

HCID60206790

未命名化合物

PRODUCTS

生成物

结构：COCCNC(=O)c1ccc(C(=O)NN=C(C)c2nn(C)c(-c3ccc(C(F)(F)F)cc3)c2O)s1

HCID76597846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3716e37f96f547b9b3bfb7162f1a8de7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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