HRID96448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID178

Acetamide

C2H5NO

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID24290

未命名化合物

结构：CC(c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CCC(CC(C)(C)C#N)(c2ccccc2)OC1=O

HCID72344317

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CCC(CC(C)(C)C(N)=O)(c2ccccc2)OC1=O

HCID72344431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e7e35f22a514f39a4f2984e3e9a0c14
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]1[CH2:4][CH2:3][CH2:2][O:5]1.[CH3:41][C:42](=[O:43])[NH2:44].[CH3:6][C:7]([C:8]#[N:9])([CH2:10][C:11]1([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH2:12][CH2:13][N:14]([CH:18]([CH3:19])[c:20]2[cH:21][cH:22][c:23](-[c:26]3[cH:27][n:28]([CH3:33])[c:29](=[O:32])[cH:30][cH:31]3)[cH:24][cH:25]2)[C:15](=[O:17])[O:16]1)[CH3:40].[OH2:48].[Pd:45]([Cl:46])[Cl:47]>>[O:5]=[C:8]([C:7]([CH3:6])([CH2:10][C:11]1([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH2:12][CH2:13][N:14]([CH:18]([CH3:19])[c:20]2[cH:21][cH:22][c:23](-[c:26]3[cH:27][n:28]([CH3:33])[c:29](=[O:32])[cH:30][cH:31]3)[cH:24][cH:25]2)[C:15](=[O:17])[O:16]1)[CH3:40])[NH2:9]