Butyric Acid → HCID 59834585, compound
Reaction equation
[CH3:25][CH2:26][CH2:27][C:28]([OH:29])=[O:30].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[cH:8][c:9]3[c:10]([n:11][c:12]([C:15]#[N:16])[n:13][cH:14]3)[n:17]2[CH2:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:23][cH:24]1.[NH:31]=[C:32]=[NH:33].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:34].[OH2:50].[OH:35][n:36]1[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[cH:8][c:9]3[c:10]([n:11][c:12]([C:15]#[N:16])[n:13][cH:14]3)[n:17]2[CH2:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:23][cH:24]1)[C:28]([CH2:27][CH2:26][CH3:25])=[O:29]Participants
7
Sources & evidence
- ORD record
- ord-7ef25000a6e8410ca93cfcd3375a7e1b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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