HRID681028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7900

1-Methoxy-2-propanol

C4H10O2

HCID81531

Diisopropylethylamine

C8H19N

HCID737920

2-methyl-1,3-benzoxazol-5-amine

C8H8N2O

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：COc1ccccc1-c1ccc2cnc(Nc3ccc4oc(C)nc4c3)nn12

HCID46852670

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78d00c3cc89648eb9ac08b13e769e9dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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][c:27]1[o:28][c:29]2[c:30]([n:31]1)[cH:32][c:33]([NH2:36])[cH:34][cH:35]2.[CH3:47][O:48][CH2:49][CH:50]([OH:51])[CH3:52].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[ClH:37]>>[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:36][c:33]4[cH:32][c:30]5[c:29]([o:28][c:27]([CH3:26])[n:31]5)[cH:35][cH:34]4)[n:16][n:17]23)[cH:5][cH:6][cH:7][cH:8]1