HRID664202

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID1061

Phosphate

O4P-3

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID28486

Lithium ion

Li+

HCID97268

Di-tert-butyl azodicarboxylate

C10H18N2O4

HCID137186

1-[4-(Trifluoromethyl)phenyl]ethan-1-ol

C9H9F3O

结构：CC(C(=O)[O-])C1CCC(O)c2c1n(C(C)c1ccc(C(F)(F)F)cc1)c1c(S(C)(=O)=O)cc(F)cc21

HCID178460360

未命名化合物

2 次

PRODUCTS

生成物

结构：CC(c1ccc(C(F)(F)F)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)C(O)CCC2CC(=O)O

HCID22225813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80d307c642cf47a3a35624fd273139dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:128]1[O:129][CH2:130][CH2:131][CH2:132]1.[CH2:139]1[O:140][CH2:141][CH2:142][CH2:143]1.[CH3:133][CH2:134][O:135][C:136]([CH3:137])=[O:138].[CH3:144][OH:145].[CH3:49][CH:50]([C:51](=[O:52])[O-:53])[CH:54]1[CH2:55][CH2:56][CH:57]([OH:84])[c:58]2[c:59]3[cH:60][c:61]([F:83])[cH:62][c:63]([S:79](=[O:80])(=[O:81])[CH3:82])[c:64]3[n:65]([CH:67]([CH3:68])[c:69]3[cH:70][cH:71][c:72]([C:75]([F:76])([F:77])[F:78])[cH:73][cH:74]3)[c:66]21.[CH3:85][CH:86]([CH:87]1[c:88]2[n:89]([CH:90]([c:91]3[cH:92][cH:93][c:94]([C:95]([F:96])([F:97])[F:98])[cH:99][cH:100]3)[CH3:101])[c:102]3[c:103]([cH:104][c:105]([F:106])[cH:107][c:108]3[S:109]([CH3:110])(=[O:111])=[O:112])[c:113]2[CH:114]([OH:115])[CH2:116][CH2:117]1)[C:118]([O-:119])=[O:120].[F:20][C:21]([F:22])([F:23])[c:24]1[cH:25][cH:26][c:27]([CH:28]([OH:29])[CH3:30])[cH:31][cH:32]1.[Li+:122].[N:33]([C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])=[N:41][C:42]([O:43][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:48].[O-:123][P:124](=[O:125])([O-:126])[O-:127].[OH-:121].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH2:50]([C:51](=[O:52])[OH:53])[CH:54]1[CH2:55][CH2:56][CH:57]([OH:84])[c:58]2[c:59]3[cH:60][c:61]([F:83])[cH:62][c:63]([S:79](=[O:80])(=[O:81])[CH3:82])[c:64]3[n:65]([CH:67]([CH3:68])[c:69]3[cH:70][cH:71][c:72]([C:75]([F:76])([F:77])[F:78])[cH:73][cH:74]3)[c:66]21