HRID188006

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID409140

Benzyl 2-aminoacetate

C9H11NO2

结构：CC(=O)N1C(=O)C(CCCNC(=NC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)C1C(=O)O

HCID178473945

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1C(=O)C(CCCNC(=NC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)C1C(=O)NCC(=O)OCc1ccccc1

HCID178473944

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-312f01f9e4404b099452bb3454c99f20
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:7](=[O:8])([OH:9])[CH:10]1[CH:11]([CH2:18][CH2:19][CH2:20][NH:21][C:22](=[N:23][C:24](=[O:25])[O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[NH:34][C:35](=[O:36])[O:37][CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[C:12](=[O:17])[N:13]1[C:14]([CH3:15])=[O:16].[CH2:53]([c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[O:60][C:61]([CH2:62][NH2:63])=[O:64].[CH2:65]([Cl:66])[Cl:67].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[Cl:1][C:2]([O:3][CH2:4][CH3:5])=[O:6].[ClH:52]>>[C:7](=[O:9])([CH:10]1[CH:11]([CH2:18][CH2:19][CH2:20][NH:21][C:22](=[N:23][C:24](=[O:25])[O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[NH:34][C:35](=[O:36])[O:37][CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[C:12](=[O:17])[N:13]1[C:14]([CH3:15])=[O:16])[NH:63][CH2:62][C:61]([O:60][CH2:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)=[O:64]