Acetone → HCID 21454865, compound
Reaction equation
[C:36](=[O:37])([OH:38])[O-:39].[CH3:47][C:48](=[O:49])[CH3:50].[NH2:15][CH:16]1[CH:17]2[S:18][CH2:19][C:20]([CH2:28][S:29][c:30]3[n:31][n:32][n:33][n:34]3[CH3:35])=[C:21]([C:25](=[O:26])[OH:27])[N:22]2[C:23]1=[O:24].[Na+:40].[OH2:51].[S:1]([Cl:2])([Cl:3])=[O:4].[S:5]1[C:6]([CH2:11][C:12](=[O:13])[OH:14])=[CH:7][S:8][CH2:9][CH2:10]1.[cH:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[S:5]1[C:6]([CH2:11][C:12](=[O:14])[NH:15][CH:16]2[CH:17]3[S:18][CH2:19][C:20]([CH2:28][S:29][c:30]4[n:31][n:32][n:33][n:34]4[CH3:35])=[C:21]([C:25](=[O:26])[OH:27])[N:22]3[C:23]2=[O:24])=[CH:7][S:8][CH2:9][CH2:10]1Participants
9
Sources & evidence
- ORD record
- ord-ff71e8a056894f43806e63d49d24fe87
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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