Acetic Acid → HCID 57431650, compound
Reaction equation
[C:30]([CH3:31])([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])=[O:42].[CH3:44][C:45](=[O:46])[OH:47].[CH:48](=[O:49])[CH3:50].[NH2:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]3[cH:7][cH:8][c:9]([C:24]#[N:25])[cH:10][c:11]3[c:12]3[c:17]2[CH2:16][CH2:15][CH:14]([NH:18][C:19]([CH:20]([CH3:21])[CH3:22])=[O:23])[CH2:13]3)[cH:26][cH:27][cH:28][cH:29]1.[Na+:43].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:56]>>[NH:1]([c:2]1[c:3]([CH2:4][n:5]2[c:6]3[cH:7][cH:8][c:9]([C:24]#[N:25])[cH:10][c:11]3[c:12]3[c:17]2[CH2:16][CH2:15][CH:14]([NH:18][C:19]([CH:20]([CH3:21])[CH3:22])=[O:23])[CH2:13]3)[cH:26][cH:27][cH:28][cH:29]1)[CH2:30][CH3:31]Participants
8
Sources & evidence
- ORD record
- ord-0e03ae770b8a47879c6a97f4c1f6d5de
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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