HRID212147

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID4574913

未命名化合物

结构：CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID16217985

2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl

C30H43O2P

HCID23233570

未命名化合物

HCID66582529

未命名化合物

PRODUCTS

生成物

结构：CC#CC1CN(C(=O)OCc2ccccc2)CCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

HCID86670418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-623673a1e184485c81246ccd5ba072cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:20][c:21]1[cH:22][cH:23][c:24]([C:27]([C:28]([F:29])([F:30])[F:31])([C:32]([F:33])([F:34])[F:35])[OH:36])[cH:25][cH:26]1.[C:1](#[C:2][CH3:3])[CH:4]1[CH2:5][N:6]([C:10](=[O:11])[O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:7][CH2:8][NH:9]1.[CH3:70][C:71]([CH3:72])([O-:73])[CH3:74].[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[CH:37]1([P:38]([CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2-[c:51]2[c:52]([O:53][CH:54]([CH3:55])[CH3:56])[cH:57][cH:58][cH:59][c:60]2[O:61][CH:62]([CH3:63])[CH3:64])[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1.[Na+:75]>>[C:1](#[C:2][CH3:3])[CH:4]1[CH2:5][N:6]([C:10](=[O:11])[O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:7][CH2:8][N:9]1[c:21]1[cH:22][cH:23][c:24]([C:27]([C:28]([F:29])([F:30])[F:31])([C:32]([F:33])([F:34])[F:35])[OH:36])[cH:25][cH:26]1