HRID1140169

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID166653

Hydride

H-

结构：CCOC(=O)N1c2cc(CO)c(OC)cc2C(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)CC1C

HCID57242890

未命名化合物

结构：COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC(C)N(C(=O)O)c2cc(CO)c(OC)cc21

HCID178502076

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1c2cc(COC)c(OC)cc2C(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)CC1C

HCID57227828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd131a387afc4c5c9bc0850bb77a0f4a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:41]([CH3:42])[O:43][C:44](=[O:45])[N:46]1[CH:47]([CH3:80])[CH2:48][CH:49]([N:60]([C:61](=[O:62])[O:63][CH3:64])[CH2:65][c:66]2[cH:67][c:68]([C:76]([F:77])([F:78])[F:79])[cH:69][c:70]([C:72]([F:73])([F:74])[F:75])[cH:71]2)[c:50]2[cH:51][c:52]([O:58][CH3:59])[c:53]([CH2:56][OH:57])[cH:54][c:55]21.[CH3:83][N:84]([CH3:85])[CH:86]=[O:87].[F:3][C:4]([F:5])([F:6])[c:7]1[cH:8][c:9]([CH2:17][N:18]([C:19]([O:20][CH3:21])=[O:22])[CH:23]2[c:24]3[c:25]([cH:26][c:27]([CH2:28][OH:29])[c:30]([O:31][CH3:32])[cH:33]3)[N:34]([C:35]([OH:36])=[O:37])[CH:38]([CH3:39])[CH2:40]2)[cH:10][c:11]([C:12]([F:13])([F:14])[F:15])[cH:16]1.[H-:1].[I:81][CH3:82].[Na+:2].[OH2:88]>>[CH3:4][O:57][CH2:56][c:53]1[c:52]([O:58][CH3:59])[cH:51][c:50]2[c:55]([cH:54]1)[N:46]([C:44]([O:43][CH2:41][CH3:42])=[O:45])[CH:47]([CH3:80])[CH2:48][CH:49]2[N:60]([C:61](=[O:62])[O:63][CH3:64])[CH2:65][c:66]1[cH:67][c:68]([C:76]([F:77])([F:78])[F:79])[cH:69][c:70]([C:72]([F:73])([F:74])[F:75])[cH:71]1