HRID951467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID947

Nitrogen

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CC1(C)OB(c2cc(F)c(CO)c(S(C)(=O)=O)c2)OC1(C)C

HCID66797188

未命名化合物

结构：CC(C)(O)c1cn(-c2ccc(Br)cc2)c(C(C)(C)c2ccccc2F)n1

HCID66797373

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)c1cn(-c2ccc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)cc2)c(C(C)(C)c2ccccc2F)n1

HCID49821979

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a22752f96ba2488fbf8dcb0e55490f3c
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

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