HRID1237184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID8021

Diethylamine

C4H11N

HCID11776

Triphenylphosphine

C18H15P

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID67602

1-Bromo-3,5-bis(trifluoromethyl)benzene

C8H3BrF6

HCID12799862

4-(1,1-Dimethylethyl)-1-(2-propyn-1-yl)piperidine

C12H21N

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)(C)C1CCN(CC#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

HCID133730

Flupropadine

C20H23F6N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a27011cd0494c57850782774b957974
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][N:8]([CH2:11][C:12]#[CH:13])[CH2:9][CH2:10]1.[CH2:14]([NH:15][CH2:16][CH3:17])[CH3:18].[CH3:54][CH2:55][O:56][CH2:57][CH3:58].[ClH:53].[Cu:59][I:60].[F:19][C:20]([c:21]1[cH:22][c:23]([Br:31])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)([F:32])[F:33].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][N:8]([CH2:11][C:12]#[C:13][c:23]2[cH:22][c:21]([C:20]([F:19])([F:32])[F:33])[cH:26][c:25]([C:27]([F:28])([F:29])[F:30])[cH:24]2)[CH2:9][CH2:10]1.[ClH:53]