Ethanol → 4-{4-[5-(1-Ethyl-1H-indol-6-ylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-benzoic acid
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([c:10]1[cH:11][cH:12][c:13]([N:16]2[CH2:17][CH2:18][N:19]([c:22]3[n:23][cH:24][c:25]([C:28]([NH:29][c:30]4[cH:31][cH:32][c:33]5[cH:34][cH:35][n:36]([CH2:39][CH3:40])[c:37]5[cH:38]4)=[O:41])[cH:26][cH:27]3)[CH2:20][CH2:21]2)[cH:14][cH:15]1)=[O:42].[CH3:43][CH2:44][OH:45].[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[H:46][H:47]>>[O:8]=[C:9]([c:10]1[cH:11][cH:12][c:13]([N:16]2[CH2:17][CH2:18][N:19]([c:22]3[n:23][cH:24][c:25]([C:28]([NH:29][c:30]4[cH:31][cH:32][c:33]5[cH:34][cH:35][n:36]([CH2:39][CH3:40])[c:37]5[cH:38]4)=[O:41])[cH:26][cH:27]3)[CH2:20][CH2:21]2)[cH:14][cH:15]1)[OH:42]Participants
5
Sources & evidence
- ORD record
- ord-fa551c9a17a648829a302350d3d29e0e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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