HRID188643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6269

4-Toluenesulfonamide

C7H9NO2S

HCID20064

1-(Ethoxycarbonyl)hydrazine

C3H8N2O2

结构：COC(=O)c1cc(C(C)=O)c(C(F)(F)F)cc1NC(C)=O

HCID59164406

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)NN=C(C)c1cc(C(=O)OC)c(NC(C)=O)cc1C(F)(F)F

HCID86621024

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc9f317c9f1246bf80fe7abf02214403
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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