HRID1202696

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

2 次

HCID6212

Chloroform

CHCl3

HCID8857

Ethyl acetate

C4H8O2

HCID2777390

4-(Trifluoromethyl)benzimidamide

C8H7F3N2

HCID5360545

Sodium

结构：O=[N+]([O-])c1ccc(-c2ccnc(-c3ccc(C(F)(F)F)cc3)n2)cc1

HCID66968576

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(-c2ccnc(-c3ccc(C(F)(F)F)cc3)n2)cc1

HCID66968883

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8fc1a3ce306a43f1a1bd8d9bebbaca5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:43][CH2:44][OH:45].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[CH:46]([Cl:47])([Cl:48])[Cl:49].[ClH:29].[F:30][C:31]([F:32])([F:33])[c:34]1[cH:35][cH:36][c:37]([C:38]([NH2:39])=[NH:40])[cH:41][cH:42]1.[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][c:12](-[c:16]3[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]3)[n:13][cH:14][cH:15]2)[cH:8][cH:9]1.[Na:26].[OH2:27].[OH2:28]>>[NH2:1][c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][c:12](-[c:16]3[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]3)[n:13][cH:14][cH:15]2)[cH:8][cH:9]1