HRID674211

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2733845

N-((1,1-Dimethylethoxy)carbonyl)-2-methyl-alanine

C9H17NO4

结构：COC(=O)C(Cc1ccc2ccccc2c1)N1CCN(C(=O)C(N)Cc2ccc(F)cc2)C(CC2CC2)C1=O

HCID72406553

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc2ccccc2c1)N1CCN(C(=O)C(Cc2ccc(F)cc2)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(CC2CC2)C1=O

HCID69588088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd1a8bad13b24567bf8aa9186bed192a
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:40]([CH3:41])([CH3:42])([CH3:43])[O:44][C:45](=[O:46])[NH:47][C:48]([C:49](=[O:50])[OH:51])([CH3:52])[CH3:53].[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15]1)[N:16]1[C:17](=[O:38])[CH:18]([CH2:34][CH:35]2[CH2:36][CH2:37]2)[N:19]([C:22]([CH:23]([CH2:24][c:25]2[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]2)[NH2:32])=[O:33])[CH2:20][CH2:21]1)=[O:39].[CH3:64][N:65]1[CH2:66][CH2:67][O:68][CH2:69][CH2:70]1.[CH3:71][N:72]([CH3:73])[CH2:74][CH2:75][CH2:76][N:77]=[C:78]=[N:79][CH2:80][CH3:81].[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[OH:54][n:55]1[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15]1)[N:16]1[C:17](=[O:38])[CH:18]([CH2:34][CH:35]2[CH2:36][CH2:37]2)[N:19]([C:22]([CH:23]([CH2:24][c:25]2[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]2)[NH:32][C:49]([C:48]([NH:47][C:45]([O:44][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:46])([CH3:52])[CH3:53])=[O:50])=[O:33])[CH2:20][CH2:21]1)=[O:39]