HRID174017

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

5 次

HCID1117

Sulfate

O4S-2

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7918

Acetic anhydride

C4H6O3

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID27099

Copper(2+)

Cu+2

HCID28123

Tetrahydroborate

H4B-

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID33558

Azide

N3-

HCID23145542

未命名化合物

PRODUCTS

生成物

HCID23145558

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9da876150c1247108f0a0a8b0c32a6cc
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

[BH4-:38].[C:29](=[O:30])([OH:31])[O-:32].[CH3:1][S:2](=[O:3])(=[O:4])[Cl:5].[CH3:40][C:41]([O:42][C:43](=[O:44])[CH3:45])=[O:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:68][OH:69].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH3:75][CH2:76][N:77]([CH2:78][CH3:79])[CH2:80][CH3:81].[CH:64]([Cl:65])([Cl:66])[Cl:67].[Cu+2:63].[N-:35]=[N+:36]=[N-:37].[Na+:33].[Na+:34].[Na+:39].[OH2:53].[OH2:54].[OH2:55].[OH2:56].[OH2:57].[OH:6][CH:7]([CH2:8][CH:9]([CH2:10][OH:11])[CH3:12])[c:13]1[c:14]([F:28])[cH:15][c:16]([NH:19][C:20](=[O:21])[c:22]2[n:23][cH:24][cH:25][cH:26][cH:27]2)[cH:17][cH:18]1.[S:58]([O-:59])([O-:60])(=[O:61])=[O:62]>>[CH:7]1([c:13]2[c:14]([F:28])[cH:15][c:16]([NH:19][C:20](=[O:21])[c:22]3[n:23][cH:24][cH:25][cH:26][cH:27]3)[cH:17][cH:18]2)[CH2:8][CH:9]([CH3:12])[CH2:10][NH:35]1