HRID189515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID15458

tert-Butyl acrylate

C7H12O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

结构：CCCOc1ccc(Br)cc1-c1nc2c(c(C)nn2CCC)c(=O)[nH]1

HCID136109008

未命名化合物

PRODUCTS

生成物

结构：CCCOc1ccc(C=CC(=O)OC(C)(C)C)cc1-c1nc2c(c(C)nn2CCC)c(=O)[nH]1

HCID136093958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86842da658e84a129ecdeeef51bfc205
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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