Chloride → HCID 22317271, compound
Reaction equation
[CH3:42][O-:43].[CH3:48][OH:49].[Cl-:41].[Cl:45][CH2:46][Cl:47].[Na+:44].[OH:1][CH2:2][c:3]1[n:4][cH:5][cH:6][c:7](-[c:9]2[cH:10][c:11]([C:15]3=[N:16][c:17]4[c:18]([cH:23][c:24]([C:33]([F:34])([F:35])[F:36])[c:25]([N:27]([CH3:28])[CH2:29][CH:30]([CH3:31])[CH3:32])[cH:26]4)[NH:19][C:20](=[O:22])[CH2:21]3)[cH:12][cH:13][cH:14]2)[cH:8]1.[S:37]([Cl:38])([Cl:39])=[O:40]>>[O:1]([CH2:2][c:3]1[n:4][cH:5][cH:6][c:7](-[c:9]2[cH:10][c:11]([C:15]3=[N:16][c:17]4[c:18]([cH:23][c:24]([C:33]([F:34])([F:35])[F:36])[c:25]([N:27]([CH3:28])[CH2:29][CH:30]([CH3:31])[CH3:32])[cH:26]4)[NH:19][C:20](=[O:22])[CH2:21]3)[cH:12][cH:13][cH:14]2)[cH:8]1)[CH3:42]Participants
8
Sources & evidence
- ORD record
- ord-c75b1bc808da4d188aa3961460f7b7f6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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