Chloride → HCID 69688496, compound
Reaction equation
[CH3:40][CH:41]([CH3:42])[NH2:43].[Cl-:39].[Cl:44][CH2:45][Cl:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH:1][CH2:2][c:3]1[cH:4][n:5][n:6][n:7]1-[c:8]1[cH:9][c:10]([C:14]2=[N:15][c:16]3[c:17]([cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[c:24]([N:26]([CH3:27])[CH:28]([CH3:29])[CH3:30])[cH:25]3)[NH:18][C:19](=[O:21])[CH2:20]2)[cH:11][cH:12][cH:13]1.[S:35]([Cl:36])([Cl:37])=[O:38]>>[CH2:2]([c:3]1[cH:4][n:5][n:6][n:7]1-[c:8]1[cH:9][c:10]([C:14]2=[N:15][c:16]3[c:17]([cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[c:24]([N:26]([CH3:27])[CH:28]([CH3:29])[CH3:30])[cH:25]3)[NH:18][C:19](=[O:21])[CH2:20]2)[cH:11][cH:12][cH:13]1)[NH:43][CH:41]([CH3:40])[CH3:42]Participants
7
Sources & evidence
- ORD record
- ord-f6d839ea146040c5a6fa8c02043c8afe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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