HRID154210

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID89216

N-Acetyltyrosine

C11H13NO4

结构：N#CCCC1CN(CCc2ccc3ccccc3c2)C(=O)CN1C(=O)C(N)Cc1ccc(F)cc1

HCID22015695

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(F)cc1)C(=O)N1CC(=O)N(CCc2ccc3ccccc3c2)CC1CCC#N

HCID22015687

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae59e877188440d8bdad0a1118005525
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:36]([CH3:37])(=[O:38])[NH:39][CH:40]([CH2:41][c:42]1[cH:43][cH:44][c:45]([OH:48])[cH:46][cH:47]1)[C:49](=[O:50])[OH:51].[CH3:62][N:63]1[CH2:64][CH2:65][O:66][CH2:67][CH2:68]1.[CH3:69][N:70]([CH3:71])[CH2:72][CH2:73][CH2:74][N:75]=[C:76]=[N:77][CH2:78][CH3:79].[NH2:1][CH:2]([C:3](=[O:4])[N:5]1[CH:6]([CH2:24][CH2:25][C:26]#[N:27])[CH2:7][N:8]([CH2:12][CH2:13][c:14]2[cH:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3[cH:22][cH:23]2)[C:9](=[O:11])[CH2:10]1)[CH2:28][c:29]1[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]1.[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[OH2:85].[OH:52][n:53]1[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[NH:1]([CH:2]([C:3](=[O:4])[N:5]1[CH:6]([CH2:24][CH2:25][C:26]#[N:27])[CH2:7][N:8]([CH2:12][CH2:13][c:14]2[cH:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3[cH:22][cH:23]2)[C:9](=[O:11])[CH2:10]1)[CH2:28][c:29]1[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]1)[C:49]([CH:40]([NH:39][C:36]([CH3:37])=[O:38])[CH2:41][c:42]1[cH:43][cH:44][c:45]([OH:48])[cH:46][cH:47]1)=[O:50]