HRID165929

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID3783165

1,1,1-Trifluoro-2-propanamine

C3H6F3N

HCID59457623

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1)C(F)(F)F

HCID59457556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d454c4eb6cfc471b884ee9317743aee6
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

[C:29](=[O:30])([O-:31])[O-:32].[CH3:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[Cl:1][c:2]1[n:3][c:4](-[c:15]2[cH:16][n:17][cH:18][cH:19][cH:20]2)[c:5](-[c:8]2[c:9]([F:14])[cH:10][n:11][cH:12][cH:13]2)[n:6][cH:7]1.[ClH:21].[Cs+:33].[Cs+:34].[F:22][C:23]([CH:24]([CH3:25])[NH2:26])([F:27])[F:28].[O-:82][C:83]([CH3:84])=[O:85].[O-:86][C:87]([CH3:88])=[O:89].[Pd+2:81].[cH:35]1[cH:36][cH:37][c:38]([P:39]([c:40]2[cH:41][cH:42][c:43]3[c:44]([cH:45][cH:46][cH:47][cH:48]3)[c:49]2-[c:50]2[c:51]3[c:52]([cH:53][cH:54][cH:55][cH:56]3)[cH:57][cH:58][c:59]2[P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80]1>>[c:2]1([NH:26][CH:24]([C:23]([F:22])([F:27])[F:28])[CH3:25])[n:3][c:4](-[c:15]2[cH:16][n:17][cH:18][cH:19][cH:20]2)[c:5](-[c:8]2[c:9]([F:14])[cH:10][n:11][cH:12][cH:13]2)[n:6][cH:7]1