Acetone → HCID 19860935, compound
Reaction equation
[CH2:52]([Cl:53])[Cl:54].[CH3:31][O:32][c:33]1[cH:34][c:35]([C:36](=[O:37])[Cl:38])[cH:39][c:40]([O:44][CH3:45])[c:41]1[O:42][CH3:43].[CH3:55][C:56]([CH3:57])=[O:58].[OH:1][CH:2]1[C:3](=[O:30])[N:4]([CH2:25][CH2:26][N:27]([CH3:28])[CH3:29])[c:5]2[c:6]([c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[cH:23][cH:24]2)[S:7][CH:8]1[c:9]1[cH:10][cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]1.[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[O:1]([CH:2]1[C:3](=[O:30])[N:4]([CH2:25][CH2:26][N:27]([CH3:28])[CH3:29])[c:5]2[c:6]([c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[cH:23][cH:24]2)[S:7][CH:8]1[c:9]1[cH:10][cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]1)[C:36]([c:35]1[cH:34][c:33]([O:32][CH3:31])[c:41]([O:42][CH3:43])[c:40]([O:44][CH3:45])[cH:39]1)=[O:37]Participants
6
Sources & evidence
- ORD record
- ord-0d6a1f15759d4e75b51b7f81223abd7e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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