HRID1116690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

2 次

HCID6212

Chloroform

CHCl3

HCID34913

未命名化合物

HCID5360545

Sodium

HCID10442454

tert-Butyl methyl(3-oxopropyl)carbamate

C9H17NO3

HCID57831258

未命名化合物

PRODUCTS

生成物

结构：CN(CCCN1CCC(c2ccccc2)(N(C)C)CC1)C(=O)OC(C)(C)C

HCID68494485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c45abce100b4499d84cc49095d57b0cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:31]([BH2:32])#[N:33].[CH3:16][N:17]([C:18]1([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1)[CH3:30].[CH3:1][N:2]([C:3]([O:4][C:5]([CH3:6])([CH3:7])[CH3:8])=[O:9])[CH2:10][CH2:11][CH:12]=[O:13].[CH3:35][OH:36].[CH3:37][C:38](=[O:39])[OH:40].[CH3:41][OH:42].[Cl:43][CH:44]([Cl:45])[Cl:46].[ClH:14].[ClH:15].[Na:34]>>[CH3:1][N:2]([C:3]([O:4][C:5]([CH3:6])([CH3:7])[CH3:8])=[O:9])[CH2:10][CH2:11][CH2:12][N:21]1[CH2:20][CH2:19][C:18]([N:17]([CH3:16])[CH3:30])([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:23][CH2:22]1