HRID1119954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

2 次

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID21931200

2-Bromo-5-iodopyrazine

C4H2BrIN2

结构：CC1CN(c2c(C=O)cc(B3OC(C)(C)C(C)(C)O3)c(F)c2F)CC(C)O1

HCID76045223

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2c(C=O)cc(-c3cnc(Br)cn3)c(F)c2F)CC(C)O1

HCID86614502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16e7776e898a4f24b4f60dc91d564d8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:38][c:39]1[n:40][cH:41][c:42]([I:45])[n:43][cH:44]1.[C:35](#[N:36])[CH3:37].[CH3:1][CH:2]1[O:3][CH:4]([CH3:27])[CH2:5][N:6]([c:8]2[c:9]([CH:10]=[O:11])[cH:12][c:13]([B:18]3[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]3)[c:14]([F:17])[c:15]2[F:16])[CH2:7]1.[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[Cl:53][Pd:54][Cl:55].[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[OH2:34].[OH2:52].[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1.[c:75]1([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:89][cH:90][cH:91][cH:92][cH:93]1>>[CH3:1][CH:2]1[O:3][CH:4]([CH3:27])[CH2:5][N:6]([c:8]2[c:9]([CH:10]=[O:11])[cH:12][c:13](-[c:42]3[cH:41][n:40][c:39]([Br:38])[cH:44][n:43]3)[c:14]([F:17])[c:15]2[F:16])[CH2:7]1