2-Mercaptoethanol → 3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine
Reaction equation
[N:42]1=[C:52]2[N:46]([CH2:45][CH2:44][CH2:43]1)[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[SH:53][CH2:54][CH2:55][OH:56].[nH:1]1[cH:2][c:3]([CH2:10][CH:11]([CH2:12][NH:13][c:14]2[cH:15][c:16](-[c:19]3[cH:20][c:21]4[cH:22][cH:23][n:24][cH:25][c:26]4[cH:27][cH:28]3)[n:17][o:18]2)[NH:29][S:30]([c:31]2[cH:32][cH:33][c:34]([N+:35]([O-:36])=[O:37])[cH:38][cH:39]2)(=[O:40])=[O:41])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[cH:2][c:3]([CH2:10][CH:11]([CH2:12][NH:13][c:14]2[cH:15][c:16](-[c:19]3[cH:20][c:21]4[cH:22][cH:23][n:24][cH:25][c:26]4[cH:27][cH:28]3)[n:17][o:18]2)[NH2:29])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12Participants
5
Sources & evidence
- ORD record
- ord-c08a83b5a27c49fa9701342358d26e93
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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