HRID1541935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID583124

Methyl 4-vinylbenzoate

C10H10O2

HCID54212527

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C=Cc2cccc3c2C(=Cc2[nH]ccc2OC)C(=O)N3)cc1

HCID57209336

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12b4b4cfd58f46009c0adf95081761dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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