Acetic Acid → HCID 21082066, compound
Reaction equation
[CH3:6][C:7]([OH:8])=[O:9].[Cl:10][c:11]1[cH:12][c:13](-[c:17]2[cH:18][c:19]3[n:20]([c:21]4[cH:22][cH:23][c:24]([CH:27]([C:28]#[N:29])[c:30]5[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]5)[cH:25][c:26]24)[n:37][n:38][n:39]3)[cH:14][cH:15][cH:16]1.[OH2:40].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]>>[OH:8][C:28]([CH:27]([c:24]1[cH:23][cH:22][c:21]2[n:20]3[c:19]([cH:18][c:17](-[c:13]4[cH:12][c:11]([Cl:10])[cH:16][cH:15][cH:14]4)[c:26]2[cH:25]1)[n:39][n:38][n:37]3)[c:30]1[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]1)=[O:40]Participants
5
Sources & evidence
- ORD record
- ord-aefb9a823a4447899a92ae5740784e63
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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