Acetic Acid → HCID 72297310, compound
Reaction equation
[C:53]([BH3-:54])#[N:55].[CH2:51]=[O:52].[CH3:1][C:2](=[O:3])[OH:4].[CH3:57][C:58]#[N:59].[Cl:60][CH2:61][Cl:62].[F:5][C:6]([c:7]1[cH:8][c:9]([CH2:10][N:11]([c:12]2[n:13][n:14][n:15]([CH3:17])[n:16]2)[CH:18]2[c:19]3[c:20]([c:32]([CH3:41])[c:33]([C:37]([F:38])([F:39])[F:40])[c:34]([CH3:36])[cH:35]3)[N:21]([CH2:25][CH:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[CH2:22][CH2:23][CH2:24]2)[cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[cH:44]1)([F:49])[F:50].[Na+:56]>>[CH3:1][N:29]1[CH2:28][CH2:27][CH:26]([CH2:25][N:21]2[c:20]3[c:19]([cH:35][c:34]([CH3:36])[c:33]([C:37]([F:38])([F:39])[F:40])[c:32]3[CH3:41])[CH:18]([N:11]([CH2:10][c:9]3[cH:8][c:7]([C:6]([F:5])([F:49])[F:50])[cH:44][c:43]([C:45]([F:46])([F:47])[F:48])[cH:42]3)[c:12]3[n:13][n:14][n:15]([CH3:17])[n:16]3)[CH2:24][CH2:23][CH2:22]2)[CH2:31][CH2:30]1Participants
8
Sources & evidence
- ORD record
- ord-4a6036a7ceda4f198f7a8b559e36b30c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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