HRID1208851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)C(Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1)OC(=O)Oc1ccc([N+](=O)[O-])cc1

HCID69512770

未命名化合物

结构：CC(NC(=O)OC(C)(C)C)C(O)CNS(=O)(=O)c1ccccn1

HCID178465449

未命名化合物

2 次

PRODUCTS

生成物

结构：CC(NC(=O)OC(Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1)C(C)(C)C)C(O)CNS(=O)(=O)c1ccccn1

HCID178465486

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7bc8f47a6cf4d46ba82b4fe1f0c161a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:48]([O:49][CH:50]([C:51]([CH3:52])([CH3:53])[CH3:54])[CH2:55][n:56]1[n:57][c:58](-[c:61]2[cH:62][cH:63][c:64]([C:67]([F:68])([F:69])[F:70])[cH:65][cH:66]2)[cH:59][cH:60]1)([O:71][c:72]1[cH:73][cH:74][c:75]([N+:76]([O-:77])=[O:78])[cH:79][cH:80]1)=[O:81].[C:91](=[O:92])([OH:93])[O-:94].[CH3:102][CH2:103][O:104][CH2:105][CH3:106].[CH:82]([N:83]([CH:84]([CH3:85])[CH3:86])[CH2:87][CH3:88])([CH3:89])[CH3:90].[ClH:47].[Na+:95].[O:96]1[CH2:97][CH2:98][O:99][CH2:100][CH2:101]1.[OH:1][CH:2]([CH:3]([CH3:4])[NH:5][C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:13][NH:14][S:15](=[O:16])(=[O:17])[c:18]1[n:19][cH:20][cH:21][cH:22][cH:23]1.[OH:24][CH:25]([CH2:26][NH:27][S:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][n:34]1)(=[O:35])=[O:36])[CH:37]([NH:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH3:46]>>[OH:1][CH:2]([CH:3]([CH3:4])[NH:5][C:48]([O:49][CH:50]([C:51]([CH3:52])([CH3:53])[CH3:54])[CH2:55][n:56]1[n:57][c:58](-[c:61]2[cH:62][cH:63][c:64]([C:67]([F:68])([F:69])[F:70])[cH:65][cH:66]2)[cH:59][cH:60]1)=[O:81])[CH2:13][NH:14][S:15](=[O:16])(=[O:17])[c:18]1[n:19][cH:20][cH:21][cH:22][cH:23]1