HRID156695

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID4186341

未命名化合物

结构：CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)c(O)c1)C(=O)O

HCID68726794

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)NC(=O)C(Cc1ccc(OCc2ccccc2)c(O)c1)NC(=O)OC(C)(C)C

HCID68725932

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-114ae9d722684dd39c714b374d2a469b
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

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