HRID196292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID102884

tert-Butyl prolinate

C9H17NO2

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

HCID294900

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)N1CCCC1C(=O)OC(C)(C)C

HCID178453419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f3c015a0314465bbb9782c7ecd3b7da
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]1[NH:8][CH2:9][CH2:10][CH2:11]1)=[O:12].[CH2:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:20][C:21](=[O:22])[NH:23][CH:24]([CH2:25][CH2:26][CH2:27][CH2:28][NH:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[C:37](=[O:38])[OH:39].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[OH2:62].[P:40]([C:41]#[N:42])(=[O:43])([O:44][CH2:45][CH3:46])[O:47][CH2:48][CH3:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]1[N:8]([C:37]([CH:24]([NH:23][C:21]([O:20][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[O:22])[CH2:25][CH2:26][CH2:27][CH2:28][NH:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:38])[CH2:9][CH2:10][CH2:11]1)=[O:12]