HRID1136036

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID20064

1-(Ethoxycarbonyl)hydrazine

C3H8N2O2

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(Cl)c(C=O)c2)c1=O

HCID21201225

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)NN=Cc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl

HCID70231190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abeaf55e653d4b1a9dc08071a738b438
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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