Acetone → HCID 66788528, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([S:21](=[O:22])(=[O:23])[c:24]2[c:25]([O:31][CH3:32])[cH:26][cH:27][c:28]([Cl:30])[cH:29]2)[c:12]2[cH:13][c:14]([C:18](=[O:19])[OH:20])[cH:15][cH:16][c:17]21.[CH2:49]([CH3:50])[O:51][C:52]([c:53]1[cH:54][cH:55][c:56]([NH2:59])[cH:57][cH:58]1)=[O:60].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:61][C:62](=[O:63])[CH3:64].[Cl:40][c:41]1[n:42][c:43]([Cl:44])[n:45][c:46]([Cl:47])[n:48]1.[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([S:21](=[O:22])(=[O:23])[c:24]2[c:25]([O:31][CH3:32])[cH:26][cH:27][c:28]([Cl:30])[cH:29]2)[c:12]2[cH:13][c:14]([C:18](=[O:19])[NH:59][c:56]3[cH:55][cH:54][c:53]([C:52]([O:51][CH2:49][CH3:50])=[O:60])[cH:58][cH:57]3)[cH:15][cH:16][c:17]21Participants
7
Sources & evidence
- ORD record
- ord-27e5e7283aba490cb57cc6101344fd7c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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