HRID195241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID72879

Methanesulfonamide

CH5NO2S

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：COc1ccc(COc2cccc(OCC3CC3)c2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)c3cc(C(=O)O)c(=O)[nH]c3n2)cc1

HCID22258932

未命名化合物

HCID86589049

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(COc2cccc(OCC3CC3)c2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)c3cc(C(=O)NS(C)(=O)=O)c(=O)[nH]c3n2)cc1

HCID22258982

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7dd2131bd5fb4c4fac9ca33633b82be8
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:55]([CH3:56])([CH3:57])([CH3:58])[O:59][C:60](=[O:61])[N:62]1[CH2:63][CH:64]([c:68]2[c:69]3[cH:70][c:71]([C:100](=[O:101])[OH:102])[c:72](=[O:99])[nH:73][c:74]3[n:75][c:76](-[c:78]3[c:79]([O:94][CH2:95][CH:96]4[CH2:97][CH2:98]4)[cH:80][cH:81][cH:82][c:83]3[O:84][CH2:85][c:86]3[cH:87][cH:88][c:89]([O:92][CH3:93])[cH:90][cH:91]3)[cH:77]2)[CH2:65][CH2:66][CH2:67]1.[CH3:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[CH3:13][Si:14]([Cl:15])([CH3:16])[CH3:17].[CH3:18][NH:19][C:20]1([NH:21][CH3:22])[CH:23]=[CH:24][N:25]=[CH:26][CH2:27]1.[CH3:1][S:2](=[O:3])(=[O:4])[NH2:5].[CH3:6][CH2:7][N:8]([CH2:9][CH3:10])[CH2:11][CH3:12].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][P+:37]([N:38]([CH3:39])[CH3:40])([N:41]([CH3:42])[CH3:43])[N:44]([CH3:45])[CH3:46])[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][C:100]([c:71]1[cH:70][c:69]2[c:68]([CH:64]3[CH2:63][N:62]([C:60]([O:59][C:55]([CH3:56])([CH3:57])[CH3:58])=[O:61])[CH2:67][CH2:66][CH2:65]3)[cH:77][c:76](-[c:78]3[c:79]([O:94][CH2:95][CH:96]4[CH2:97][CH2:98]4)[cH:80][cH:81][cH:82][c:83]3[O:84][CH2:85][c:86]3[cH:87][cH:88][c:89]([O:92][CH3:93])[cH:90][cH:91]3)[n:75][c:74]2[nH:73][c:72]1=[O:99])=[O:101]