HRID212459

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

HCID2724942

未命名化合物

结构：CC(C)(C)OC(=O)N1CCCC(N)c2cc3c(cc21)OC(F)(F)O3

HCID68679505

未命名化合物

结构：CC(C)(C)OC(=O)N1CCCC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc3c(cc21)OC(F)(F)O3

HCID87538876

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)OC(C)(C)C)c2cc3c(cc21)OC(F)(F)O3

HCID72486485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07461936bdc4431db052d3ae07549a06
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([O:2][C:3]([N:4]1[c:5]2[c:6]([cH:7][c:8]3[c:14]([cH:15]2)[O:13][C:10]([F:11])([F:12])[O:9]3)[CH:16]([NH2:17])[CH2:18][CH2:19][CH2:20]1)=[O:21])([CH3:22])([CH3:23])[CH3:24].[C:25]([O:26][BH-:27]([O:28][C:35]([CH3:36])=[O:37])[O:29][C:30](=[O:31])[CH3:32])(=[O:33])[CH3:34].[C:39]([CH3:40])([CH3:41])([CH3:42])[O:43][C:44](=[O:45])[N:46]1[CH2:47][CH2:48][CH2:49][CH:50]([NH:62][CH2:63][c:64]2[cH:65][c:66]([C:74]([F:75])([F:76])[F:77])[cH:67][c:68]([C:70]([F:71])([F:72])[F:73])[cH:69]2)[c:51]2[cH:52][c:53]3[c:57]([cH:58][c:59]21)[O:56][C:55]([F:60])([F:61])[O:54]3.[CH3:84][C:85](=[O:86])[Cl:87].[CH3:91][C:92](=[O:93])[OH:94].[Cl:88][CH2:89][Cl:90].[Na+:38].[cH:78]1[cH:79][cH:80][n:81][cH:82][cH:83]1>>[C:35]([CH3:36])(=[O:37])[N:62]([CH:50]1[CH2:49][CH2:48][CH2:47][N:46]([C:44]([O:43][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:45])[c:59]2[c:51]1[cH:52][c:53]1[c:57]([cH:58]2)[O:56][C:55]([F:60])([F:61])[O:54]1)[CH2:63][c:64]1[cH:65][c:66]([C:74]([F:75])([F:76])[F:77])[cH:67][c:68]([C:70]([F:71])([F:72])[F:73])[cH:69]1