Dichloromethane → HCID 21488259, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:16]2[CH:17]3[CH2:18][CH2:19][CH:20]([CH:21]([c:24]4[cH:25][c:26]([C:35]([CH3:36])([CH3:37])[CH3:38])[c:27]([OH:34])[c:28]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:29]4)[CH2:22][CH2:23]2)[S:39]3=[O:40])[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11].[CH2:52]([Cl:53])[Cl:54].[Cl:41][c:42]1[cH:43][cH:44][cH:45][c:46]([C:47]([O:48][OH:50])=[O:49])[cH:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:16]2[CH:17]3[CH2:18][CH2:19][CH:20]([CH:21]([c:24]4[cH:25][c:26]([C:35]([CH3:36])([CH3:37])[CH3:38])[c:27]([OH:34])[c:28]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:29]4)[CH2:22][CH2:23]2)[S:39]3(=[O:40])=[O:49])[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11]Participants
4
Sources & evidence
- ORD record
- ord-728d8455d5084408aa309e8337b264ce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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