Acetate → HCID 74953346, compound
Reaction equation
[CH3:39][N:40]([CH2:41][CH2:42][O:43][NH2:44])[CH3:45].[CH3:47][C:48](=[O:49])[O-:50].[CH3:51][OH:52].[ClH:37].[ClH:38].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:18][c:19]3[cH:20][nH:21][c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]34)[CH2:10][N:11]([CH2:14][C:15]([CH3:16])=[O:17])[CH2:12][CH2:13]2)[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1)([F:35])[F:36].[Na+:46]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:18][c:19]3[cH:20][nH:21][c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]34)[CH2:10][N:11]([CH2:14][C:15]([CH3:16])=[N:44][O:43][CH2:42][CH2:41][N:40]([CH3:39])[CH3:45])[CH2:12][CH2:13]2)[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1)([F:35])[F:36]Participants
7
Sources & evidence
- ORD record
- ord-cab5a342a9a64c7da3fd801a15f08a88
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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