HRID2313490

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID408394

8-Methyl-8-azabicyclo[3.2.1]octan-3-amine

C8H16N2

结构：CC(C)(C)OC(=O)N1CCC2(CC1)CC(CC(=O)O)C2

HCID18670570

未命名化合物

PRODUCTS

生成物

结构：CN1C2CCC1CC(NC(=O)CC1CC3(CCN(C(=O)OC(C)(C)C)CC3)C1)C2

HCID18670154

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8bcdd936c034bfa964bd97a6a8c2519
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][CH:13]([CH2:15][C:16](=[O:17])[OH:18])[CH2:14]2)[CH2:19][CH2:20]1.[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[Cl:28][C:29]([O:30][CH2:31][CH3:32])=[O:33].[Cl:46][CH2:47][Cl:48].[ClH:34].[ClH:35].[NH2:36][CH:37]1[CH2:38][CH:39]2[CH2:40][CH2:41][CH:42]([CH2:43]1)[N:44]2[CH3:45].[OH2:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][CH:13]([CH2:15][C:16](=[O:17])[NH:36][CH:37]3[CH2:38][CH:39]4[CH2:40][CH2:41][CH:42]([CH2:43]3)[N:44]4[CH3:45])[CH2:14]2)[CH2:19][CH2:20]1