Isonicotinic Acid → HCID 66745864, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH3:23])[n:8][c:9]2[cH:10][cH:11][cH:12][c:13]([O:17][CH2:18][C:19]([CH3:20])([CH3:21])[NH2:22])[c:14]2[c:15]1[NH2:16].[CH3:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:24][C:25](=[O:26])[c:27]1[cH:28][cH:29][n:30][cH:31][cH:32]1.[OH:44][n:45]1[c:46]2[c:47]([cH:48][cH:49][cH:50][cH:51]2)[n:52][n:53]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH3:23])[n:8][c:9]2[cH:10][cH:11][cH:12][c:13]([O:17][CH2:18][C:19]([CH3:20])([CH3:21])[NH:22][C:25](=[O:24])[c:27]3[cH:28][cH:29][n:30][cH:31][cH:32]3)[c:14]2[c:15]1[NH2:16]Participants
7
Sources & evidence
- ORD record
- ord-ba4ccafc6df144049046241af35e06c5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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