HRID192316

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID424

DL-Aspartic acid

C4H7NO4

HCID6344

Dichloromethane

CH2Cl2

HCID7036

Benzhydrylamine

C13H13N

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

结构：CC(C)(C)OC(=O)NC(CC(=O)O)(Cc1ccccc1)C(=O)O

HCID18966443

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CC(=O)O)(Cc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1

HCID178453559

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0845158c5504301b1b5c817684cf06c
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:15](=[O:16])([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[NH:22][C:23]([CH2:24][C:25](=[O:26])[OH:27])([C:28](=[O:29])[OH:30])[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[NH2:14].[CH:38]1([N:39]=[C:40]=[N:41][CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[Cl:62][CH2:63][Cl:64].[NH2:53][CH:54]([C:55](=[O:56])[OH:57])[CH2:58][C:59](=[O:60])[OH:61]>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[NH:14][C:28]([C:23]([NH:22][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])([CH2:24][C:25](=[O:26])[OH:27])[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)=[O:29]