HRID304845

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID996

Phenol

C6H6O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID105144

Palladium(2+)

Pd+2

结构：COC(=O)c1cnc(N2CCN(c3nnc(Cl)c(C)c3C)CC2C)cn1

HCID72539429

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cnc(N2CCN(c3nnc(Oc4ccccc4)c(C)c3C)CC2C)cn1

HCID77236166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fe9d1de49e0480c891e3d2e1cf0a5cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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