HRID1218961

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID23938

Palladium

HCID2773587

2-Vinylphenylboronic acid

C8H9BO2

结构：O=S(=O)(O)c1cccc(P(c2cccc(S(=O)(=O)O)c2)c2cccc(S(=O)(=O)O)c2)c1

HCID3675708

未命名化合物

结构：O=C1N=C(NC2CCCCC2)C2(CCN(Cc3cccc(Br)c3)CC2)N1c1cccc(F)c1

HCID178517967

未命名化合物

PRODUCTS

生成物

结构：C=Cc1ccccc1-c1cccc(CN2CCC3(CC2)C(NC2CCCCC2)=NC(=O)N3c2cccc(F)c2)c1

HCID178435901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2fea17fd511412cb4417bf25f05a734
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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