Nicotinic Acid → HCID 11442085, compound
Reaction equation
[CH3:10][CH2:11][N:12]=[C:13]=[N:14][CH2:15][CH2:16][CH2:17][N:18]([CH3:19])[CH3:20].[CH3:62][CH2:63][O:64][C:65]([CH3:66])=[O:67].[NH2:31][c:32]1[cH:33][c:34]([O:38][c:39]2[cH:40][c:41]3[c:42]([cH:43][n:44]2)[n:45][c:46](-[c:50]2[c:51]([NH2:55])[n:52][o:53][n:54]2)[n:47]3[CH2:48][CH3:49])[cH:35][cH:36][cH:37]1.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:61].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][n:8][cH:9]1.[OH:21][n:22]1[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[n:29][n:30]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][n:8][cH:9]1)[NH:31][c:32]1[cH:33][c:34]([O:38][c:39]2[cH:40][c:41]3[c:42]([cH:43][n:44]2)[n:45][c:46](-[c:50]2[c:51]([NH2:55])[n:52][o:53][n:54]2)[n:47]3[CH2:48][CH3:49])[cH:35][cH:36][cH:37]1Participants
8
Sources & evidence
- ORD record
- ord-ccf224b8fe674fb09cd75d0cca23541c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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