Hydrochloric Acid → HCID 178467330, compound
Reaction equation
[C:57]([Cl:58])([Cl:59])([Cl:60])[Cl:61].[CH2:1]([S:2][CH:4]1[CH:5]([CH:49]([CH3:50])[OH:51])[C:6](=[O:48])[N:7]1[C:8]([C:9](=[S:10])[O:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]1)=[C:22]([C:23]([C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[O:29][c:30]1[cH:31][cH:32][c:33]([C:36](=[O:37])[S:38][c:39]2[c:40]([Cl:47])[cH:41][c:42]([Cl:46])[c:43]([Cl:45])[cH:44]2)[cH:34][cH:35]1)[CH3:3].[CH:53]([Cl:54])([Cl:55])[Cl:56].[Cl:52]>>[CH:4]1([Cl:54])[CH:5]([CH:49]([CH3:50])[OH:51])[C:6](=[O:48])[N:7]1[C:8]([C:9](=[S:10])[O:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]1)=[C:22]([C:23]([C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[O:29][c:30]1[cH:31][cH:32][c:33]([C:36](=[O:37])[S:38][c:39]2[c:40]([Cl:47])[cH:41][c:42]([Cl:46])[c:43]([Cl:45])[cH:44]2)[cH:34][cH:35]1Participants
5
Sources & evidence
- ORD record
- ord-35eaf22eb2284357bb80156f59a673aa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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