HRID2126093

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

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID105144

Palladium(2+)

Pd+2

HCID2760897

Cyclopropylboronic acid

C3H7BO2

结构：O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(I)c3ccccc32)cc1

HCID58975061

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(C3CC3)c3ccccc32)cc1

HCID58975011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94d675b08c6a4eb8bfc7620ff79e9fec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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