Nicotinic Acid → HCID 178452695, compound
Reaction equation
[B-:10]([F:11])([F:12])([F:13])[F:14].[C:41]([CH3:42])([CH3:43])([CH3:44])[O:45][C:46]([NH:47][c:48]1[c:49]([CH2:54][N:55]2[C:56](=[O:70])[C:57]([CH3:68])([CH3:69])[c:58]3[cH:59][c:60]4[c:61]([cH:62][c:63]32)[nH:64][c:65]([NH2:67])[n:66]4)[cH:50][cH:51][cH:52][cH:53]1)=[O:71].[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][n:8][cH:9]1.[n:15]1([O:16][C:17]([N:18]([CH3:19])[CH3:20])=[N+:21]([CH3:22])[CH3:23])[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][n:8][cH:9]1)[NH:67][c:65]1[nH:64][c:61]2[c:60]([cH:59][c:58]3[c:63]([cH:62]2)[N:55]([CH2:54][c:49]2[c:48]([NH:47][C:46]([O:45][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:71])[cH:53][cH:52][cH:51][cH:50]2)[C:56](=[O:70])[C:57]3([CH3:68])[CH3:69])[n:66]1Participants
7
Sources & evidence
- ORD record
- ord-9dd8f5b3a32b429a8fabd09adc3a411c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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