Acetic Acid → HCID 21545513, compound
Reaction equation
[CH3:19][N:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[N:7]=[C:8]([S:15][CH3:16])[c:9]1[c:10]([cH:12][s:13][cH:14]1)[NH:11]2.[CH3:26][C:27](=[O:28])[OH:29].[OH2:18]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[N:7]=[C:8]([N:23]1[CH2:22][CH2:21][N:20]([CH3:19])[CH2:25][CH2:24]1)[c:9]1[c:10]([cH:12][s:13][cH:14]1)[NH:11]2Participants
5
Sources & evidence
- ORD record
- ord-f5bf6e392e104de99137914c849a7302
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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