Acetic Acid → Acetic Acid
Reaction equation
[C:1]([CH3:2])(=[O:3])[OH:4].[CH3:39][N:40]([CH2:41][C:42](=[O:43])[OH:44])[CH3:45].[CH3:47][N:48]([CH3:49])[CH2:50][CH2:51][CH2:52][N:53]=[C:54]=[N:55][CH2:56][CH3:57].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[Cl:77][CH2:78][Cl:79].[ClH:46].[NH2:5][c:6]1[c:7]2[c:8]([n:9][cH:10][n:11]1)[n:12]([CH:33]1[CH2:34][NH:35][CH2:36][CH2:37][CH2:38]1)[n:13][c:14]2-[c:15]1[cH:16][cH:17][c:18]([NH:21][c:22]2[o:23][c:24]3[c:25]([n:26]2)[cH:27][c:28]([CH3:32])[cH:29][c:30]3[CH3:31])[cH:19][cH:20]1.[OH:67][n:68]1[c:69]2[n:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[C:1]([CH3:2])(=[O:3])[OH:4].[NH2:5][c:6]1[c:7]2[c:8]([n:9][cH:10][n:11]1)[n:12]([CH:33]1[CH2:34][N:35]([C:42]([CH2:41][N:40]([CH3:39])[CH3:45])=[O:43])[CH2:36][CH2:37][CH2:38]1)[n:13][c:14]2-[c:15]1[cH:16][cH:17][c:18]([NH:21][c:22]2[o:23][c:24]3[c:25]([n:26]2)[cH:27][c:28]([CH3:32])[cH:29][c:30]3[CH3:31])[cH:19][cH:20]1Participants
10
Reactant 8
Product 2
Sources & evidence
- ORD record
- ord-f9c9964d25cc4b37891a2305805ea8d0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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