Acetic Acid → HCID 178448603, compound
Reaction equation
[CH3:43][C:44](=[O:45])[OH:46].[NH2:1][c:2]1[c:3]([CH2:4][NH:5][C:6]([CH2:7][n:8]2[c:9](=[O:10])[n:11]([CH3:37])[c:12]3[n:13][c:14]([N:23]4[CH2:24][CH:25]([NH:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:26][CH2:27][CH2:28]4)[n:15]([CH2:19][C:20]#[C:21][CH3:22])[c:16]3[c:17]2=[O:18])=[O:38])[cH:39][cH:40][cH:41][cH:42]1>>[N:1]1=[C:6]([CH2:7][n:8]2[c:9](=[O:10])[n:11]([CH3:37])[c:12]3[n:13][c:14]([N:23]4[CH2:24][CH:25]([NH:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:26][CH2:27][CH2:28]4)[n:15]([CH2:19][C:20]#[C:21][CH3:22])[c:16]3[c:17]2=[O:18])[NH:5][CH2:4][c:3]2[c:2]1[cH:42][cH:41][cH:40][cH:39]2Participants
3
Sources & evidence
- ORD record
- ord-b5fd5914974b4d4b963f864829a44849
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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