HRID2150521

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID2733845

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

C9H17NO4

结构：CN(C)NC(=O)C1(Cc2ccccc2)CCN(C(=O)C(N)Cc2c[nH]c3ccccc23)CC1

HCID20694701

未命名化合物

PRODUCTS

生成物

结构：CN(C)NC(=O)C1(Cc2ccccc2)CCN(C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)CC1

HCID69019306

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff11f9d92b1d4d2491fd6289f0f5e884
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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