HRID2139447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID246565

Z-DL-asparagine

C12H14N2O5

HCID178418300

未命名化合物

结构：CC(C)(C)N1CC(O)CC1C(=O)NCC(O)C(N)Cc1ccccc1

HCID178448590

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)N1CC(O)CC1C(=O)NCC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)OCc1ccccc1

HCID178448588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6d17c3420b940b7a778fa8cb1a347b6
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

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