HRID111895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID22121

Benzimidazole, 2-isopropyl-

C10H12N2

HCID105144

Palladium(2+)

Pd+2

HCID4574913

未命名化合物

结构：CC(C)(C)OC(=O)N1CC(=Cc2ccc3nc(Cl)nc(N4CCOCC4)c3n2)C1

HCID58404986

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C=C3CN(C(=O)OC(C)(C)C)C3)ccc2n1

HCID58404996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aae60f508939407caeed8f62b989d579
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

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