HRID1567595

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID57688164

N,N-Diethyl-5-(hydrazinecarbonyl)thiophene-2-carboxamide

C10H15N3O2S

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

HCID73175129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-108f16a936eb4c1cae4998aee5aeddb4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:21]([CH3:22])[N:23]([C:24](=[O:25])[c:26]1[s:27][c:28]([C:31](=[O:32])[NH:33][NH2:34])[cH:29][cH:30]1)[CH2:35][CH3:36].[CH3:48][CH:49]([OH:50])[CH3:51].[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.[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1>>[OH:1][c:2]1[c:3]([C:18]([CH3:19])=[N:34][NH:33][C:31]([c:28]2[s:27][c:26]([C:24]([N:23]([CH2:21][CH3:22])[CH2:35][CH3:36])=[O:25])[cH:30][cH:29]2)=[O:32])[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