HRID1232954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID76809

N-((1,1-Dimethylethoxy)carbonyl)-beta-alanine

C8H15NO4

HCID12136620

未命名化合物

PRODUCTS

生成物

结构：CCCCCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)CCNC(=O)OC(C)(C)C

HCID57481272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d65e0bbf35e40b7a13d46947e1dd1fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][C:11](=[O:12])[OH:13].[C:21]([Cl:22])(=[O:23])[O:24][CH2:25][CH:26]([CH3:27])[CH3:28].[C:30]12([CH2:40][CH2:41][NH:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])[CH2:31][CH:32]3[CH2:33][CH:34]([CH2:35][CH:36]([CH2:37]1)[CH2:38]3)[CH2:39]2.[CH3:14][N:15]1[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[ClH:29].[Na+:48].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH:49][C:50](=[O:51])[O-:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][C:11](=[O:13])[N:42]([CH2:41][CH2:40][C:30]12[CH2:31][CH:32]3[CH2:33][CH:34]([CH2:35][CH:36]([CH2:37]1)[CH2:38]3)[CH2:39]2)[CH2:43][CH2:44][CH2:45][CH2:46][CH3:47]