HRID99080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

结构：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H36NP

HCID4574913

未命名化合物

HCID16244400

7-Fluoro-1,2,3,4-tetrahydroisoquinoline

C9H10FN

结构：CC(C)(C)CC(=O)Nc1c(Cl)cc(Br)cc1C(F)(F)F

HCID58097337

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC(=O)Nc1c(Cl)cc(N2CCc3ccc(F)cc3C2)cc1C(F)(F)F

HCID24937082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a098293f3f9741e7ab1d67d3ed25cf3b
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

[Br:47][c:48]1[cH:49][c:50]([Cl:66])[c:51]([NH:58][C:59]([CH2:60][C:61]([CH3:62])([CH3:63])[CH3:64])=[O:65])[c:52]([C:54]([F:55])([F:56])[F:57])[cH:53]1.[CH3:29][C:30]([CH3:31])([O-:32])[CH3:33].[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[N:21]([CH3:22])[CH3:23])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1.[ClH:35].[F:36][c:37]1[cH:38][cH:39][c:40]2[c:45]([cH:46]1)[CH2:44][NH:43][CH2:42][CH2:41]2.[K+:34]>>[F:36][c:37]1[cH:38][cH:39][c:40]2[c:45]([cH:46]1)[CH2:44][N:43]([c:48]1[cH:49][c:50]([Cl:66])[c:51]([NH:58][C:59]([CH2:60][C:61]([CH3:62])([CH3:63])[CH3:64])=[O:65])[c:52]([C:54]([F:55])([F:56])[F:57])[cH:53]1)[CH2:42][CH2:41]2