HRID1229109

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8431

1-Piperazinecarboxylic acid, ethyl ester

C7H14N2O2

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)OC(=O)NCC(NC(=O)OCc1ccccc1)C(=O)O

HCID4115416

N-[(Benzyloxy)carbonyl]-3-[(tert-butoxycarbonyl)amino]alanine

C16H22N2O6

PRODUCTS

生成物

结构：CCOC(=O)N1CCN(C(=O)C(CNC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)CC1

HCID66920116

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-227a5af977c14594a00cd246ed51f6bd
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([C:13](=[O:14])[OH:15])[CH2:16][NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24].[CH2:42]([CH3:43])[O:44][C:45](=[O:46])[N:47]1[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]1.[CH2:57]([Cl:58])[CH2:59][Cl:60].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[Cl:53][CH2:54][Cl:55].[OH2:56].[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([C:13](=[O:15])[N:50]1[CH2:49][CH2:48][N:47]([C:45]([O:44][CH2:42][CH3:43])=[O:46])[CH2:52][CH2:51]1)[CH2:16][NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24]