Acetic Acid → HCID 20343971, compound
Reaction equation
[CH2:30]([Cl:31])[Cl:32].[CH3:25][C:26](=[O:27])[OH:28].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8][c:9]2[c:10]([C:15]3([C:23]#[N:24])[CH2:16][CH2:17][N:18]([C:21]#[N:22])[CH2:19][CH2:20]3)[cH:11][cH:12][cH:13][cH:14]2)[cH:6][cH:7]1.[OH2:29]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8][c:9]2[c:10]([C:15]3([C:23]#[N:24])[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]3)[cH:11][cH:12][cH:13][cH:14]2)[cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-6a48588dcf334968be582e7eda8e81d6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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