Acetic Acid → HCID 86625299, compound
Reaction equation
[CH3:50][C:51](=[O:52])[OH:53].[Cl:1][C:2]([CH2:3][O:4][C:5]([N:6]([CH2:7][c:8]1[c:9]([F:15])[cH:10][c:11]([F:14])[cH:12][cH:13]1)[CH:16]1[CH2:17][NH:18][CH:19]([C:21](=[O:22])[N:23]2[CH2:24][CH2:25][N:26]([c:29]3[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]3)[CH2:27][CH2:28]2)[CH2:20]1)=[O:37])([Cl:38])[Cl:39].[Cl:54][CH2:55][Cl:56].[F:40][c:41]1[c:42]([CH:43]=[O:44])[cH:45][cH:46][cH:47][c:48]1[F:49]>>[Cl:1][C:2]([CH2:3][O:4][C:5]([N:6]([CH2:7][c:8]1[c:9]([F:15])[cH:10][c:11]([F:14])[cH:12][cH:13]1)[CH:16]1[CH2:17][N:18]([CH2:43][c:42]2[c:41]([F:40])[c:48]([F:49])[cH:47][cH:46][cH:45]2)[CH:19]([C:21](=[O:22])[N:23]2[CH2:24][CH2:25][N:26]([c:29]3[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]3)[CH2:27][CH2:28]2)[CH2:20]1)=[O:37])([Cl:38])[Cl:39]Participants
5
Sources & evidence
- ORD record
- ord-eb1b87e50cec449ca78339f39dcfa3ea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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