Acetic Acid → HCID 15096223, compound
Reaction equation
[CH3:42][C:43](=[O:44])[OH:45].[CH3:9][c:10]1[c:11]([CH2:12][NH:13][C:14](=[S:15])[c:16]2[cH:17][c:18]3[c:27]([cH:28][cH:29]2)[S:26][c:25]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:19]3[CH:30]([CH2:31][N:32]2[CH2:33][CH2:34][CH2:35][CH2:36]2)[CH3:37])[cH:38][cH:39][cH:40][cH:41]1.[OH:1][C:2]([CH:3]=[CH:4][C:5](=[O:6])[OH:7])=[O:8]>>[O:1]=[C:14]([NH:13][CH2:12][c:11]1[c:10]([CH3:9])[cH:41][cH:40][cH:39][cH:38]1)[c:16]1[cH:17][c:18]2[c:27]([cH:28][cH:29]1)[S:26][c:25]1[c:20]([cH:21][cH:22][cH:23][cH:24]1)[N:19]2[CH:30]([CH2:31][N:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1)[CH3:37]Participants
4
Sources & evidence
- ORD record
- ord-1c90cbe716d34976a15e499106f0bcd4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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