HRID665831

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID166653

Hydride

H-

结构：N#Cc1cc(C(F)(F)F)c2c(c1)[nH]c(=O)n2Cc1cccc(C(F)(F)F)c1

HCID22327383

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCn1c(=O)n(Cc2cccc(C(F)(F)F)c2)c2c(C(F)(F)F)cc(C#N)cc21

HCID22327410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-888f3904d4e44ce68986f5f2ab71413a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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