HRID832020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID947

Nitrogen

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID2734364

4-(Methylsulfonyl)phenylboronic acid

C7H9BO4S

反应SMILES：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

反应SMILES：O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(-c2cnc3cc(Cl)ccn23)cc1

HCID68543017

未命名化合物

PRODUCTS

产物

反应SMILES：CS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(CNC(=O)Cc5cccc(C(F)(F)F)c5)cc4)cnc3c2)cc1

HCID57863465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-248fd318dde041fe80ce6c1e16a50073
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[CH2:93]1[O:94][CH2:95][CH2:96][O:97][CH2:98]1.[CH3:32][S:33](=[O:34])(=[O:35])[c:36]1[cH:37][cH:38][c:39]([B:42]([OH:43])[OH:44])[cH:40][cH:41]1.[CH:45]1([P:46]([CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2-[c:59]2[c:60]([O:61][CH3:62])[cH:63][cH:64][cH:65][c:66]2[O:67][CH3:68])[CH2:69][CH2:70][CH2:71][CH2:72][CH2:73]1.[Cl:1][c:2]1[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[c:8](-[c:11]1[cH:12][cH:13][c:14]([CH2:15][NH:16][C:17]([CH2:18][c:19]3[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]3)=[O:29])[cH:30][cH:31]1)[cH:9][n:10]2.[K+:79].[K+:80].[K+:81].[N:82]#[N:83].[O-:85][C:86]([CH3:87])=[O:88].[O-:89][C:90]([CH3:91])=[O:92].[OH2:99].[P:74]([O-:75])([O-:76])([O-:77])=[O:78].[Pd+2:84]>>[c:2]1(-[c:39]2[cH:38][cH:37][c:36]([S:33]([CH3:32])(=[O:34])=[O:35])[cH:41][cH:40]2)[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[c:8](-[c:11]1[cH:12][cH:13][c:14]([CH2:15][NH:16][C:17]([CH2:18][c:19]3[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]3)=[O:29])[cH:30][cH:31]1)[cH:9][n:10]2