HRID1549259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID3893

Dodecanoic acid

C12H24O2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID62365

Isobutyl chloroformate

C5H9ClO2

结构：CC(N)C(=O)NC(CCC(=O)OCc1ccccc1)C(N)=O

HCID12873809

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCC(=O)NC(C)C(=O)NC(CCC(=O)OCc1ccccc1)C(N)=O

HCID178443293

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75b01f3bd28a482ea901a86dbcedd554
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[CH3:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:20]([OH:21])=[O:22].[Cl:1][C:2]([O:3][CH2:4][CH:5]([CH3:6])[CH3:7])=[O:8].[ClH:23].[NH2:24][CH:25]([CH3:26])[C:27](=[O:28])[NH:29][CH:30]([CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[C:43]([NH2:44])=[O:45].[OH2:66]>>[CH3:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:20](=[O:22])[NH:24][CH:25]([CH3:26])[C:27](=[O:28])[NH:29][CH:30]([CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[C:43]([NH2:44])=[O:45]