HRID308129

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID2757964

3-Cyano-4-fluorophenylboronic acid

C7H5BFNO2

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

结构：O=C1CN(C(=O)c2cc(Br)c(-c3cccc(Cl)c3)s2)CN1

HCID58066740

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(-c2cc(C(=O)N3CNC(=O)C3)sc2-c2cccc(Cl)c2)ccc1F

HCID46833796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c3d959ca6854a1d9f233456d0b7123b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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