HRID666185

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID70770

Ethyl 4-piperidinecarboxylate

C8H15NO2

HCID81531

Diisopropylethylamine

C8H19N

HCID59318138

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCN(c2ccc(C(=O)Nc3ccc(I)c(C)c3)cn2)CC1

HCID59318191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db6a4d14ec5b4981a3c1000de36116fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([CH3:16])[c:12]([I:15])[cH:13][cH:14]2)[cH:17][cH:18]1.[NH:19]1[CH2:20][CH2:21][CH:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:28][CH2:29]1.[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:51]>>[c:2]1([N:19]2[CH2:20][CH2:21][CH:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:28][CH2:29]2)[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([CH3:16])[c:12]([I:15])[cH:13][cH:14]2)[cH:17][cH:18]1