HRID114546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID44844

Butyric acid, 4-(diethylamino)-

C8H17NO2

结构：N#Cc1ccc(C(F)(F)F)cc1N=NNc1cc(C(F)(F)F)ccc1C#N

HCID3035495

1,3-Bis(2-cyano-5-(trifluoromethyl)phenyl)triazene

C16H7F6N5

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCN(CC)CCCC(=O)N(N=Nc1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N

HCID21516384

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb3f62bfa66b497fb13bde0fae85c97d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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