Acetic Acid → HCID 54206313, compound
Reaction equation
[CH2:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[n:11]1[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2[c:18]2[cH:19][cH:20][c:21]([CH2:26][C:27](=[O:28])[OH:29])[c:22]([S:24][CH3:25])[c:23]12.[CH3:30][C:31](=[O:32])[OH:33].[CH3:34][CH2:35][O:36][CH2:37][CH3:38].[N+:1](=[CH2:2])=[N-:3]>>[NH2:1][C:27]([CH2:26][c:21]1[cH:20][cH:19][c:18]2[c:17]3[c:12]([n:11]([CH2:4][c:5]4[cH:6][cH:7][cH:8][cH:9][cH:10]4)[c:23]2[c:22]1[S:24][CH3:25])[cH:13][cH:14][cH:15][cH:16]3)=[O:29]Participants
5
Sources & evidence
- ORD record
- ord-bd25d185ebaf4616a3cc245841e7c87b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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