HRID298239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID787

Hydroxylamine

H3NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C#N

HCID58200108

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=N)NO

HCID178423542

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6db236bfad7647488765492f3a90d0a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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