HRID2324253

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID75452

4-Methoxybenzylamine

C8H11NO

HCID735900

1-Boc-4-piperidone

C10H17NO3

HCID58295674

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(C(=O)c2cccc(Br)c2I)C2=CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID58295704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8d56783bd52454d8273f4e1d1698f37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:25][c:26]1[c:27]([I:35])[c:28]([C:29](=[O:30])[Cl:31])[cH:32][cH:33][cH:34]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11](=[O:14])[CH2:12][CH2:13]1.[CH3:15][O:16][c:17]1[cH:18][cH:19][c:20]([CH2:21][NH2:22])[cH:23][cH:24]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[OH2:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]=[C:11]([N:22]([CH2:21][c:20]2[cH:19][cH:18][c:17]([O:16][CH3:15])[cH:24][cH:23]2)[C:29]([c:28]2[c:27]([I:35])[c:26]([Br:25])[cH:34][cH:33][cH:32]2)=[O:30])[CH2:12][CH2:13]1