HRID1144241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6422

未命名化合物

HCID4574913

未命名化合物

结构：CC(C)(C)P(C(C)(C)C)C1(C)CC1(c1ccccc1)c1ccccc1

HCID21909131

Di-tert-butyl(1-methyl-2,2-diphenylcyclopropyl)phosphane

C24H33P

HCID22452557

3-Amino-4-methoxybenzonitrile

C8H8N2O

HCID86641382

未命名化合物

HCID178455862

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C#N)cc1Nc1cc(NCC(F)(F)F)c2ncc(C#N)n2n1

HCID59313800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c633aef7640543519ee6bd78452fd7c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:30]([P:31]([C:32]([CH3:33])([CH3:34])[CH3:35])[C:36]1([CH3:37])[CH2:38][C:39]1([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)([CH3:52])([CH3:53])[CH3:54].[CH2:75]([Pd:76][Cl:77])[CH:78]=[CH2:79].[CH3:55][C:56]([CH3:57])([O-:58])[CH3:59].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[Cl:1][c:2]1[cH:3][c:4]([NH:13][CH2:14][C:15]([F:16])([F:17])[F:18])[c:5]2[n:6]([n:7]1)[c:8]([C:11]#[N:12])[cH:9][n:10]2.[F:61][C:62]([F:63])([F:64])[C:65]([OH:66])=[O:67].[NH2:19][c:20]1[cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26][c:27]1[O:28][CH3:29].[Na+:60]>>[c:2]1([NH:19][c:20]2[cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26][c:27]2[O:28][CH3:29])[cH:3][c:4]([NH:13][CH2:14][C:15]([F:16])([F:17])[F:18])[c:5]2[n:6]([n:7]1)[c:8]([C:11]#[N:12])[cH:9][n:10]2