Acetone → HCID 21426443, compound
Reaction equation
[C:35](=[O:36])([OH:37])[O-:38].[CH3:41][C:42](=[O:43])[CH3:44].[NH2:1][CH:2]1[CH:3]2[S:4][CH2:5][C:6]([CH2:14][S:15][c:16]3[n:17][n:18][n:19][n:20]3[CH3:21])=[C:7]([C:11](=[O:12])[OH:13])[N:8]2[C:9]1=[O:10].[Na+:39].[OH2:40].[S:22](=[O:23])(=[O:24])([CH3:25])[c:26]1[n:27]([CH2:31][C:32](=[O:33])[Cl:34])[cH:28][cH:29][n:30]1>>[NH:1]([CH:2]1[CH:3]2[S:4][CH2:5][C:6]([CH2:14][S:15][c:16]3[n:17][n:18][n:19][n:20]3[CH3:21])=[C:7]([C:11](=[O:12])[OH:13])[N:8]2[C:9]1=[O:10])[C:32]([CH2:31][n:27]1[c:26]([S:22](=[O:23])(=[O:24])[CH3:25])[n:30][cH:29][cH:28]1)=[O:33]Participants
7
Sources & evidence
- ORD record
- ord-dab65aa2f094440f99d2c6628a667586
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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