Hexane → [2-(1-Benzyl-1H-pyrazol-4-yl)-7-hydroxy-6-methoxy-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)-methanone
Reaction equation
[CH2:19]([n:20]1[cH:21][c:22]([C:23]#[CH:24])[cH:25][n:26]1)[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH2:1]([O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][cH:8][c:9]([I:10])[c:11]1[OH:12])[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[CH2:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[n:53]1[n:54][cH:55][c:56](-[c:58]2[o:59][c:60]3[c:61]([c:62]2[C:63](=[O:64])[c:65]2[cH:66][c:67]([O:75][CH3:76])[c:68]([O:73][CH3:74])[c:69]([O:71][CH3:72])[cH:70]2)[cH:77][cH:78][c:79]([O:89][CH3:90])[c:80]3[O:81][CH2:82][c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:57]1.[CH3:33][O:34][c:35]1[cH:36][c:37]([I:38])[cH:39][c:40]([O:41][CH3:42])[c:43]1[O:44][CH3:45].[CH3:91][CH2:92][CH2:93][CH2:94][CH2:95][CH3:96].[CH3:97][CH2:98][O:99][C:100](=[O:101])[CH3:102]>>[CH2:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[n:53]1[n:54][cH:55][c:56](-[c:58]2[o:59][c:60]3[c:61]([c:62]2[C:63](=[O:64])[c:65]2[cH:66][c:67]([O:75][CH3:76])[c:68]([O:73][CH3:74])[c:69]([O:71][CH3:72])[cH:70]2)[cH:77][cH:78][c:79]([O:89][CH3:90])[c:80]3[OH:81])[cH:57]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-2d5e62d07e3942c19a7a861ba08733ea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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