Acetic Acid → HCID 9847660, compound
Reaction equation
[C:1]([c:2]1[nH:3][cH:4][cH:5][n:6]1)([c:7]1[nH:8][cH:9][cH:10][n:11]1)=[O:12].[C:38]([OH:39])(=[O:40])[CH3:41].[CH2:13]([CH3:14])[n:15]1[c:16]2[c:17]([c:18](=[O:24])[c:19]([C:21](=[O:22])[OH:23])[cH:20]1)[cH:25][c:26]([I:28])[s:27]2.[Cl:29][c:30]1[cH:31][cH:32][c:33]([CH2:34][NH2:35])[cH:36][cH:37]1.[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[CH2:13]([CH3:14])[n:15]1[c:16]2[c:17]([c:18](=[O:24])[c:19]([C:21](=[O:23])[NH:35][CH2:34][c:33]3[cH:32][cH:31][c:30]([Cl:29])[cH:37][cH:36]3)[cH:20]1)[cH:25][c:26]([I:28])[s:27]2Participants
6
Sources & evidence
- ORD record
- ord-78b18598f55541bf8594cbbfee6c8bde
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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