Acetic Acid → HCID 15887920, compound
Reaction equation
[Br:39][c:40]1[cH:41][cH:42][c:43]2[c:44](=[O:62])[c:45]([C:57](=[O:58])[O:59][CH2:60][CH3:61])[cH:46][n:47]([CH:54]3[CH2:55][CH2:56]3)[c:48]2[c:49]1[O:50][CH:51]([F:52])[F:53].[CH3:2][CH:3]1[N:4]([C:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:5][c:6]2[cH:7][c:8]([B:12]3[O:13][CH2:14][CH2:15][NH:16][CH2:17][CH2:18][O:19]3)[cH:9][cH:10][c:11]21.[CH3:69][CH2:70][OH:71].[CH3:72][C:73](=[O:74])[OH:75].[CH3:76][O:77][CH2:78][CH2:79][O:80][CH2:81][CH2:82][O:83][CH3:84].[Na+:63].[Na+:64].[O-:65][C:66](=[O:67])[O-:68].[OH2:1]>>[CH3:2][CH:3]1[N:4]([C:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:5][c:6]2[cH:7][c:8](-[c:40]3[cH:41][cH:42][c:43]4[c:44](=[O:62])[c:45]([C:57](=[O:58])[O:59][CH2:60][CH3:61])[cH:46][n:47]([CH:54]5[CH2:55][CH2:56]5)[c:48]4[c:49]3[O:50][CH:51]([F:52])[F:53])[cH:9][cH:10][c:11]21Participants
9
Sources & evidence
- ORD record
- ord-02397806fb3e44a78bb1f43d10c93d73
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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