Acetic Acid → HCID 178490998, compound
Reaction equation
[C:51]([OH:52])(=[O:53])[CH3:54].[CH3:58][OH:59].[Cl:55][CH2:56][Cl:57].[NH2:1][CH2:2][CH:3]1[O:4][CH:5]([n:13]2[cH:14][cH:15][c:16]3[c:17]2[n:18][cH:19][n:20][c:21]3[NH:22][CH2:23][c:24]2[c:25]([O:32][CH3:33])[cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[CH:6]2[CH:7]1[O:8][C:9]([CH3:11])([CH3:12])[O:10]2.[O:34]=[C:35]1[CH2:36][CH:37]([CH2:39][CH2:40][C:41](=[O:42])[O:43][CH2:44][c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[CH2:38]1>>[NH:1]([CH2:2][CH:3]1[O:4][CH:5]([n:13]2[cH:14][cH:15][c:16]3[c:17]2[n:18][cH:19][n:20][c:21]3[NH:22][CH2:23][c:24]2[c:25]([O:32][CH3:33])[cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[CH:6]2[CH:7]1[O:8][C:9]([CH3:11])([CH3:12])[O:10]2)[CH:35]1[CH2:36][CH:37]([CH2:39][CH2:40][C:41](=[O:42])[O:43][CH2:44][c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[CH2:38]1Participants
6
Sources & evidence
- ORD record
- ord-a90238b5ebd84f068799db5f4124250d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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