Propionic Acid → HCID 178460455, compound
Reaction equation
[CH2:64]([Cl:65])[Cl:66].[CH3:43][CH2:44][C:45]([OH:46])=[O:47].[CH3:67][N:68]([CH3:69])[c:70]1[cH:71][cH:72][n:73][cH:74][cH:75]1.[CH:1]1([N:2]=[C:3]=[N:4][CH:5]2[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]2)[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1.[CH:48]1([N:49]([CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[C:56]([NH2:57])=[O:58])[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[OH:16][c:17]1[c:18]([C:35](=[O:36])[NH:37][c:38]2[s:39][cH:40][cH:41][n:42]2)[c:19]([CH:31]([CH2:32][CH3:33])[OH:34])[n:20][c:21]2[c:22]([C:27]([F:28])([F:29])[F:30])[cH:23][cH:24][cH:25][c:26]12>>[OH:16][c:17]1[c:18]([C:35](=[O:36])[NH:37][c:38]2[s:39][cH:40][cH:41][n:42]2)[c:19]([CH:31]([CH2:32][CH3:33])[O:34][C:45]([CH2:44][CH3:43])=[O:46])[n:20][c:21]2[c:22]([C:27]([F:28])([F:29])[F:30])[cH:23][cH:24][cH:25][c:26]12Participants
7
Sources & evidence
- ORD record
- ord-8baa93daf2de4649b105dc29d0bbdbc6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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