HRID2132878

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+

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID12052

Silane, triethyl-

C6H16Si

HCID90495

Di-tert-butyl dicarbonate

C10H18O5

结构：COC(=O)C1Cc2cc3c(cc2CN1C(=O)OC(C)(C)C)OC(O)(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CO3

HCID66719237

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1Cc2cc3c(cc2CN1C(=O)OC(C)(C)C)OC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CO3

HCID66719288

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51373b62f52a414993346ca2f24c5c30
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:72](=[O:73])([OH:74])[O-:75].[CH2:50]([SiH:51]([CH2:52][CH3:53])[CH2:54][CH3:55])[CH3:56].[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:7][c:8]2[cH:9][c:10]3[c:11]([cH:12][c:13]2[CH2:14]1)[O:15][CH2:16][C:17]([OH:19])([c:20]1[cH:21][cH:22][c:23]([O:26][CH2:27][c:28]2[cH:29][c:30]([Cl:35])[c:31]([Cl:34])[cH:32][cH:33]2)[cH:24][cH:25]1)[O:18]3.[CH3:57][C:58]([O:59][C:60]([O:61][C:62]([O:63][C:64]([CH3:65])([CH3:66])[CH3:67])=[O:68])=[O:69])([CH3:70])[CH3:71].[CH3:81][CH2:82][O:83][C:84](=[O:85])[CH3:86].[Cl:78][CH2:79][Cl:80].[ClH:77].[F:43][C:44]([F:45])([F:46])[C:47]([OH:48])=[O:49].[Na+:76]>>[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:7][c:8]2[cH:9][c:10]3[c:11]([cH:12][c:13]2[CH2:14]1)[O:15][CH2:16][CH:17]([c:20]1[cH:21][cH:22][c:23]([O:26][CH2:27][c:28]2[cH:29][c:30]([Cl:35])[c:31]([Cl:34])[cH:32][cH:33]2)[cH:24][cH:25]1)[O:18]3