HRID142465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID2735450

2,3-Dihydro-1,4-benzodioxine-2-carboxylic acid

C9H8O4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)C2COc3ccccc3O2)CC1

HCID45038393

tert-Butyl 4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazine-1-carboxylate

C18H24N2O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a1a9e362f534c718bdb89943069ce01
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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