HRID957982

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

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID105144

Palladium(2+)

Pd+2

HCID2760897

Cyclopropylboronic acid

C3H7BO2

HCID4866470

未命名化合物

结构：CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cccc3cncc(Br)c23)C1

HCID67242856

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cccc3cncc(C4CC4)c23)C1

HCID67243197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfade28ec47c4dafaf6e4fa3f8e7986d
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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