HRID695509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6363

Isopropylamine

C3H9N

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8028

Tetrahydrofuran

C4H8O

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID28486

Lithium ion

Li+

HCID392870

1-tert-Butyl 4-methyl piperidine-1,4-dicarboxylate

C12H21NO4

HCID5062348

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COC(=O)C1(Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

HCID20664732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76887cf64ce345689249b85e39e5295e
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

[Br:35][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH2:5]([Li:6])[CH2:7][CH2:8][CH3:9].[CH3:11][CH:12]([N-:13][CH:14]([CH3:15])[CH3:16])[CH3:17].[CH3:18][O:19][C:20](=[O:21])[CH:22]1[CH2:23][CH2:24][N:25]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:26][CH2:27]1.[CH3:1][CH:2]([NH2:3])[CH3:4].[CH3:50][N:51]([CH3:52])[P:53]([N:54]([CH3:55])[CH3:56])([N:57]([CH3:58])[CH3:59])=[O:60].[Cl-:43].[Li+:10].[NH4+:44]>>[CH3:18][O:19][C:20](=[O:21])[C:22]1([CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH2:23][CH2:24][N:25]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:26][CH2:27]1