HRID1210871

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6363

Isopropylamine

C3H9N

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

HCID86630896

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NC(C)C)nn1

HCID67158003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b28b3baa84c44a0915e10c22cf1d704
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

[CH3:22][CH:23]([CH3:24])[NH2:25].[I:1][c:2]1[cH:3][cH:4][c:5]([NH:8][CH2:9][c:10]2[c:11](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[n:12][o:13][c:14]2[CH3:15])[n:6][n:7]1.[O-:51][C:52]([CH3:53])=[O:54].[O-:55][C:56]([CH3:57])=[O:58].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[Pd+2:50].[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[c:2]1([C:46]([NH:25][CH:23]([CH3:22])[CH3:24])=[O:45])[cH:3][cH:4][c:5]([NH:8][CH2:9][c:10]2[c:11](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[n:12][o:13][c:14]2[CH3:15])[n:6][n:7]1