HRID173061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID7900

1-Methoxy-2-propanol

C4H10O2

HCID81531

Diisopropylethylamine

C8H19N

HCID57416093

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

C12H18N2O2

结构：CN(c1ccccc1-c1ccc2cnc(OS(=O)(=O)C(F)(F)F)nn12)S(C)(=O)=O

HCID86661681

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CN2CCOCC2)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1

HCID66712515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-991ea6475d564e9aa4d0a2e7d457060c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][S:2](=[O:3])(=[O:4])[N:5]([c:6]1[c:7](-[c:12]2[cH:13][cH:14][c:15]3[cH:16][n:17][c:18]([O:21][S:22]([C:23]([F:24])([F:25])[F:26])(=[O:27])=[O:28])[n:19][n:20]23)[cH:8][cH:9][cH:10][cH:11]1)[CH3:29].[CH3:30][O:31][c:32]1[c:33]([NH2:45])[cH:34][cH:35][c:36]([CH2:38][N:39]2[CH2:40][CH2:41][O:42][CH2:43][CH2:44]2)[cH:37]1.[CH3:55][O:56][CH2:57][CH:58]([OH:59])[CH3:60].[CH3:61][CH2:62][O:63][CH2:64][CH3:65].[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54]>>[CH3:1][S:2](=[O:3])(=[O:4])[N:5]([c:6]1[c:7](-[c:12]2[cH:13][cH:14][c:15]3[cH:16][n:17][c:18]([NH:45][c:33]4[c:32]([O:31][CH3:30])[cH:37][c:36]([CH2:38][N:39]5[CH2:40][CH2:41][O:42][CH2:43][CH2:44]5)[cH:35][cH:34]4)[n:19][n:20]23)[cH:8][cH:9][cH:10][cH:11]1)[CH3:29]