HRID834622

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID2773542

3-(Methylsulfonyl)phenylboronic acid

C7H9BO4S

结构：CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(-c3noc(C)n3)cc2)c2nc(Br)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID68813809

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(-c3noc(C)n3)cc2)c2nc(-c3cccc(S(C)(=O)=O)c3)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID68815766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-396ba5dfce8d44ff97a852ae80609bc3
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

[Br:1][c:2]1[n:3][c:4]([CH:26]([NH:27][c:28]2[cH:29][cH:30][c:31](-[c:34]3[n:35][o:36][c:37]([CH3:39])[n:38]3)[cH:32][cH:33]2)[c:40]2[c:41]([F:53])[c:42]([O:49][CH:50]([CH3:51])[CH3:52])[cH:43][c:44]([O:46][CH2:47][CH3:48])[cH:45]2)[n:5]([C:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:6]1.[CH3:101][CH2:102][O:103][C:104]([CH3:105])=[O:106].[CH3:54][S:55](=[O:56])(=[O:57])[c:58]1[cH:59][c:60]([B:64]([OH:65])[OH:66])[cH:61][cH:62][cH:63]1.[CH3:94][O:95][CH2:96][CH2:97][O:98][CH3:99].[Na+:93].[O-:108][C:109]([CH3:110])=[O:111].[O-:112][C:113]([CH3:114])=[O:115].[O-:89][C:90]([OH:91])=[O:92].[OH2:100].[Pd+2:107].[c:67]1([CH3:68])[cH:69][cH:70][cH:71][cH:72][c:73]1[P:74]([c:75]1[cH:76][cH:77][cH:78][cH:79][c:80]1[CH3:81])[c:82]1[cH:83][cH:84][cH:85][cH:86][c:87]1[CH3:88]>>[c:2]1(-[c:60]2[cH:59][c:58]([S:55]([CH3:54])(=[O:56])=[O:57])[cH:63][cH:62][cH:61]2)[n:3][c:4]([CH:26]([NH:27][c:28]2[cH:29][cH:30][c:31](-[c:34]3[n:35][o:36][c:37]([CH3:39])[n:38]3)[cH:32][cH:33]2)[c:40]2[c:41]([F:53])[c:42]([O:49][CH:50]([CH3:51])[CH3:52])[cH:43][c:44]([O:46][CH2:47][CH3:48])[cH:45]2)[n:5]([C:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:6]1