HRID159494

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID11481097

未命名化合物

HCID59741059

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N2CCc3ncc(C(F)(F)F)cc3C2)cc(C)c1NC(=O)CC(C)(C)C

HCID25182408

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a3c9e52e35c424ab8817359727dea16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:35][c:36]1[cH:37][c:38]([CH3:51])[c:39]([NH:43][C:44]([CH2:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:50])[c:40]([CH3:42])[cH:41]1.[CH3:29][C:30]([CH3:31])([O-:32])[CH3:33].[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]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.[F:52][C:53]([c:54]1[cH:55][n:56][c:57]2[c:62]([cH:63]1)[CH2:61][NH:60][CH2:59][CH2:58]2)([F:64])[F:65].[K+:34]>>[c:36]1([N:60]2[CH2:59][CH2:58][c:57]3[n:56][cH:55][c:54]([C:53]([F:52])([F:64])[F:65])[cH:63][c:62]3[CH2:61]2)[cH:37][c:38]([CH3:51])[c:39]([NH:43][C:44]([CH2:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:50])[c:40]([CH3:42])[cH:41]1