HRID155594

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID88713

1,3-Benzodioxole, 5-(chloromethyl)-

C8H7ClO2

HCID3157178

1-Boc-3-oxopiperazine

C9H16N2O3

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCNC(=O)C1Cc1ccc2c(c1)OCO2

HCID23155909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d083900846a34cd583e710c934bdc01c
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

[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH2:27][C:28](=[O:32])[NH:29][CH2:30][CH2:31]1.[CH2:7]([Li:8])[CH2:9][CH2:10][CH3:11].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[CH:12]([NH:13][CH:14]([CH3:15])[CH3:16])([CH3:17])[CH3:18].[Cl-:44].[Cl:33][CH2:34][c:35]1[cH:36][c:37]2[c:38]([cH:42][cH:43]1)[O:39][CH2:40][O:41]2.[NH4+:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1>>[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH:27]([CH2:34][c:35]2[cH:36][c:37]3[c:38]([cH:42][cH:43]2)[O:39][CH2:40][O:41]3)[C:28](=[O:32])[NH:29][CH2:30][CH2:31]1