3-Pyridineacetic acid → HCID 25230750, compound
Reaction equation
[CH2:52]([Cl:53])[Cl:54].[CH:12]([N:13]([CH2:14][CH3:15])[CH:16]([CH3:17])[CH3:18])([CH3:19])[CH3:20].[Cl:21][c:22]1[cH:23][c:24](-[n:42]2[n:43][c:44]([C:50]#[N:51])[c:45](=[O:49])[nH:46][c:47]2=[O:48])[cH:25][c:26]([Cl:41])[c:27]1[O:28][c:29]1[n:30][n:31]([CH2:39][OH:40])[c:32](=[O:38])[c:33]([CH:35]([CH3:36])[CH3:37])[cH:34]1.[ClH:1].[n:2]1[cH:3][c:4]([CH2:8][C:9](=[O:10])[OH:11])[cH:5][cH:6][cH:7]1>>[n:2]1[cH:3][c:4]([CH2:8][C:9]([O:10][CH2:39][n:31]2[n:30][c:29]([O:28][c:27]3[c:22]([Cl:21])[cH:23][c:24](-[n:42]4[n:43][c:44]([C:50]#[N:51])[c:45](=[O:49])[nH:46][c:47]4=[O:48])[cH:25][c:26]3[Cl:41])[cH:34][c:33]([CH:35]([CH3:36])[CH3:37])[c:32]2=[O:38])=[O:11])[cH:5][cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-812e720c8f2d4ba28dafa4b5a756db90
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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