Acetone → HCID 53317069, compound
Reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([S:9](=[O:10])(=[O:11])[NH:12][CH2:13][CH:14]([CH2:15][CH2:16][N:17]2[CH:18]3[CH2:19][CH:20]([n:25]4[c:26]([CH3:34])[n:27][c:28]5[c:29]4[cH:30][cH:31][cH:32][cH:33]5)[CH2:21][CH:22]2[CH2:23][CH2:24]3)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:6][cH:7][cH:8]1.[CH3:53][C:54](=[O:55])[CH3:56].[K+:47].[K+:48].[NH2:43][C:44](=[O:45])[NH2:46].[O-:49][C:50]([O-:51])=[O:52].[OH2:57].[OH:41][OH:42]>>[C:1]([NH2:2])([c:3]1[cH:4][c:5]([S:9](=[O:10])(=[O:11])[NH:12][CH2:13][CH:14]([CH2:15][CH2:16][N:17]2[CH:18]3[CH2:19][CH:20]([n:25]4[c:26]([CH3:34])[n:27][c:28]5[c:29]4[cH:30][cH:31][cH:32][cH:33]5)[CH2:21][CH:22]2[CH2:23][CH2:24]3)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:6][cH:7][cH:8]1)=[O:45]Participants
8
Sources & evidence
- ORD record
- ord-15ba9f79796648a29056ae55af16f4fb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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