Acetic Acid → HCID 21109645, compound
Reaction equation
[B-:25]([F:26])([F:27])([F:28])[F:29].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][c:9]1[n:10][cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][c:17]1-[c:18]1[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]1.[CH3:55][C:56](=[O:57])[OH:58].[NH2:47][CH:48]1[CH:49]([OH:54])[CH2:50][CH2:51][CH2:52][CH2:53]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][c:9]1[n:10][cH:11][c:12]([C:13](=[O:14])[NH:47][CH:48]2[CH:49]([OH:54])[CH2:50][CH2:51][CH2:52][CH2:53]2)[cH:16][c:17]1-[c:18]1[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]1Participants
7
Sources & evidence
- ORD record
- ord-a1fd878379324e45aa20781bcb698dec
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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