HRID949086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7900

1-Methoxy-2-propanol

C4H10O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

HCID57416093

2-Methoxy-4-[(morpholin-4-yl)methyl]aniline

C12H18N2O2

结构：COc1ccccc1-c1ccc2cnc(OS(=O)(=O)C(F)(F)F)nn12

HCID86661678

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CN2CCOCC2)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1

HCID66712339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb297396cd584abf82c22f1d46c73649
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]3[cH:13][n:14][c:15]([O:18][S:19]([C:20]([F:21])([F:22])[F:23])(=[O:24])=[O:25])[n:16][n:17]23)[cH:5][cH:6][cH:7][cH:8]1.[CH3:26][O:27][c:28]1[c:29]([NH2:41])[cH:30][cH:31][c:32]([CH2:34][N:35]2[CH2:36][CH2:37][O:38][CH2:39][CH2:40]2)[cH:33]1.[CH3:51][O:52][CH2:53][CH:54]([OH:55])[CH3:56].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[O-:57][S:58]([C:59]([F:60])([F:61])[F:62])(=[O:63])=[O:64]>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]3[cH:13][n:14][c:15]([NH:41][c:29]4[c:28]([O:27][CH3:26])[cH:33][c:32]([CH2:34][N:35]5[CH2:36][CH2:37][O:38][CH2:39][CH2:40]5)[cH:31][cH:30]4)[n:16][n:17]23)[cH:5][cH:6][cH:7][cH:8]1