HRID148872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7900

1-Methoxy-2-propanol

C4H10O2

HCID81531

Diisopropylethylamine

C8H19N

HCID57416113

1-[(4-Amino-3-methoxyphenyl)methyl]piperidin-4-ol

C13H20N2O2

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(CN2CCC(O)CC2)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1

HCID66712457

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24da044a5cbc48ec8fdca54f82cc3a91
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

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