Acetic Acid → HCID 44548493, compound
Reaction equation
[C:1]([OH:2])(=[O:3])[CH3:4].[CH3:41][N:42]([CH3:43])[CH2:44][CH2:45][CH2:46][N:47]=[C:48]=[N:49][CH2:50][CH3:51].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[ClH:40].[OH:52][n:53]1[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1.[n:5]1[cH:6][c:7](-[c:15]2[cH:16][cH:17][cH:18][c:19]3[c:23]2-[n:22]2[c:21]([cH:26][cH:25][cH:24]2)[CH:20]3[NH2:27])[cH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]12.[nH:28]1[cH:29][cH:30][c:31]2[c:32]1[n:33][cH:34][cH:35][c:36]2[C:37](=[O:38])[OH:39]>>[n:5]1[cH:6][c:7](-[c:15]2[cH:16][cH:17][cH:18][c:19]3[c:23]2-[n:22]2[c:21]([cH:26][cH:25][cH:24]2)[CH:20]3[NH:27][C:37]([c:36]2[c:31]3[cH:30][cH:29][nH:28][c:32]3[n:33][cH:34][cH:35]2)=[O:38])[cH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]12Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-d8d93a2f9cc7474abe9d38fba49f935b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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