HRID98370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID9526

Methyl trifluoromethanesulfonate

C2H3F3O3S

HCID88675

1,8-Bis(dimethylamino)naphthalene

C14H18N2

HCID91126072

未命名化合物

PRODUCTS

产物

HCID91500586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ea6482f0119d49c2aa981ba48f0ada84
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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