Acetic Acid → HCID 10686686, compound
Reaction equation
[CH3:1][C:2](=[O:3])[OH:4].[Cl:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][c:14]3[s:15][c:16]4[c:17]([n:18]3[cH:19]2)[cH:20][cH:21][cH:22][cH:23]4)[cH:10][cH:11]1.[N:24](=[O:25])[O-:26].[Na+:27].[OH2:28]>>[Cl:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][c:14]3[s:15][c:16]4[c:17]([n:18]3[c:19]2[N:24]=[O:25])[cH:20][cH:21][cH:22][cH:23]4)[cH:10][cH:11]1Participants
6
Sources & evidence
- ORD record
- ord-b9919697adca4b2e9209b3ad3d066f56
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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