Acetic Acid → HCID 57686969, compound
Reaction equation
[C:42](=[O:43])([OH:44])[O-:45].[CH3:38][C:39](=[O:40])[OH:41].[F:1][C:2]([c:3]1[cH:4][n:5][c:6]2[c:11]([cH:12]1)[CH2:10][N:9]([C:13](=[O:14])[C:15]13[CH2:16][C:17](=[O:23])[CH2:18][CH:19]1[CH2:20][CH2:21][CH2:22]3)[CH2:8][CH2:7]2)([F:24])[F:25].[Na+:46].[c:26]1([CH:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[F:1][C:2]([c:3]1[cH:4][n:5][c:6]2[c:11]([cH:12]1)[CH2:10][N:9]([C:13](=[O:14])[C:15]13[CH2:16][CH:17]([N:35]4[CH2:34][CH2:33][CH:32]([c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[CH2:37][CH2:36]4)[CH2:18][CH:19]1[CH2:20][CH2:21][CH2:22]3)[CH2:8][CH2:7]2)([F:24])[F:25]Participants
6
Sources & evidence
- ORD record
- ord-a41fc086c12b40afaa3561c9e7bc1e47
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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