HRID823406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

结构：CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(B2OC(C)(C)C(C)(C)O2)cn1

HCID59208468

未命名化合物

结构：CCOC(=O)c1cn(C2CCCCC2O)c2ccc(I)cc2c1=O

HCID68467803

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2ccc3c(c2)c(=O)c(C(=O)OCC)cn3C2CCCCC2O)cn1

HCID68471327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34622e76bc8547a1a2aec7be0ac4206f
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

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