HRID2158831

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID12905555

未命名化合物

结构：CCOCCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1

HCID57413373

4-[[4′-(2-Ethoxyethoxy)-2′,6′-dimethyl[1,1′-biphenyl]-3-yl]methoxy]-2-fluorobenzenepropanoic acid

C28H31FO5

PRODUCTS

生成物

结构：CCOCCOc1cc(C)c(-c2cccc(COc3ccc(CCC(N)=O)c(F)c3)c2)c(C)c1

HCID58903110

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c22841c6c1d445d9bf3f49ca7f80cb5b
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:65](=[O:66])([O-:67])[OH:68].[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH3:34])[c:10](-[c:14]2[cH:15][c:16]([CH2:20][O:21][c:22]3[cH:23][c:24]([F:33])[c:25]([CH2:28][CH2:29][C:30](=[O:31])[OH:32])[cH:26][cH:27]3)[cH:17][cH:18][cH:19]2)[c:11]([CH3:13])[cH:12]1.[CH2:39]([N:41]=[C:40]=[N:42][CH2:43][CH2:44][CH2:45][NH2:46])[CH3:47].[CH3:35][OH:36].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[CH3:70][C:71]#[N:72].[ClH:38].[NH3:37].[Na+:69].[OH:48][n:49]1[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH3:34])[c:10](-[c:14]2[cH:15][c:16]([CH2:20][O:21][c:22]3[cH:23][c:24]([F:33])[c:25]([CH2:28][CH2:29][C:30](=[O:31])[NH2:41])[cH:26][cH:27]3)[cH:17][cH:18][cH:19]2)[c:11]([CH3:13])[cH:12]1