Ethanol → 5-(3,4-dimethoxy-phenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyrazine
Reaction equation
[C:36](=[O:37])([OH:38])[O-:39].[CH3:17][O:18][c:19]1[cH:20][c:21]([B:27]([OH:28])[OH:29])[cH:22][cH:23][c:24]1[O:25][CH3:26].[CH3:82][CH2:83][OH:84].[CH3:88][C:89]#[N:90].[Cl:41][Pd-2:42]([Cl:43])([PH:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)([c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)[PH:63]([c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)([c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[Cl:85][CH2:86][Cl:87].[I:1][n:2]1[cH:3][cH:4][c:5]2[c:6]1[N:7]=[C:8]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[CH2:9][NH:10]2.[Na+:30].[Na+:31].[Na+:40].[O-:32][C:33](=[O:34])[O-:35]>>[n:2]1(-[c:21]2[cH:20][c:19]([O:18][CH3:17])[c:24]([O:25][CH3:26])[cH:23][cH:22]2)[cH:3][cH:4][c:5]2[c:6]1[N:7]=[C:8]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[CH2:9][NH:10]2Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-59bfabbd93e04deea085e11bcd3fc0c8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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