HRID674435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID419889

Ethyl 3-aminopropanoate

C5H11NO2

结构：CC(C)(C)OC(=O)N1CCC(C=CC(=O)N2CCCC(C(=O)O)C2)CC1

HCID69817996

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCNC(=O)C1CCCN(C(=O)C=CC2CCN(C(=O)OC(C)(C)C)CC2)C1

HCID178472078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80f735be5ae04ce89f72c5f9ed2a6c76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH:14]=[CH:15][C:16](=[O:17])[N:18]2[CH2:19][CH:20]([C:24](=[O:25])[OH:26])[CH2:21][CH2:22][CH2:23]2)[CH2:12][CH2:13]1.[CH2:28]([CH3:29])[O:30][C:31]([CH2:32][CH2:33][NH2:34])=[O:35].[CH2:46]([N:47]=[C:48]=[N:49][CH2:50][CH2:51][CH2:52][N:53]([CH3:54])[CH3:55])[CH3:56].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[ClH:27].[OH2:62].[OH:36][n:37]1[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH:14]=[CH:15][C:16](=[O:17])[N:18]2[CH2:19][CH:20]([C:24](=[O:25])[NH:34][CH2:33][CH2:32][C:31]([O:30][CH2:28][CH3:29])=[O:35])[CH2:21][CH2:22][CH2:23]2)[CH2:12][CH2:13]1