HRID684300

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID31275

1,4-Dioxane

C4H8O2

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID4198743

5-Cyanothiophene-2-boronic acid

C5H4BNO2S

结构：COc1ccc(CN2Cc3c(F)c(NC(CC(C)C)C(N)=O)nc(Cl)c3C2=O)c(OC)c1

HCID76759138

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2Cc3c(F)c(NC(CC(C)C)C(N)=O)nc(-c4ccc(C#N)s4)c3C2=O)c(OC)c1

HCID67238615

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f8a2ee8444f423a9520e3ef12e9f2b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:33](#[N:34])[c:35]1[cH:36][cH:37][c:38]([B:40]([OH:41])[OH:42])[s:39]1.[CH:43]1([P:44]([CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2-[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]1.[Cl:1][c:2]1[n:3][c:4]([NH:24][CH:25]([C:26](=[O:27])[NH2:28])[CH2:29][CH:30]([CH3:31])[CH3:32])[c:5]([F:23])[c:6]2[c:7]1[C:8](=[O:22])[N:9]([CH2:11][c:12]1[c:13]([O:20][CH3:21])[cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[CH2:10]2.[O:68]1[CH2:69][CH2:70][O:71][CH2:72][CH2:73]1.[O:74]=[CH:75][N:76]([CH3:77])[CH3:78]>>[c:2]1(-[c:38]2[cH:37][cH:36][c:35]([C:33]#[N:34])[s:39]2)[n:3][c:4]([NH:24][CH:25]([C:26](=[O:27])[NH2:28])[CH2:29][CH:30]([CH3:31])[CH3:32])[c:5]([F:23])[c:6]2[c:7]1[C:8](=[O:22])[N:9]([CH2:11][c:12]1[c:13]([O:20][CH3:21])[cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[CH2:10]2