Water → HCID 66974125, compound
Reaction equation
[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:7](=[O:8])[OH:9])[s:6]1.[I:17][c:18]1[cH:19][cH:20][c:21](-[n:24]2[c:25]([S:31][CH3:32])[n:26][c:27]([CH2:29][NH2:30])[cH:28]2)[cH:22][cH:23]1.[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[OH2:33]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:7](=[O:9])[NH:30][CH2:29][c:27]2[n:26][c:25]([S:31][CH3:32])[n:24](-[c:21]3[cH:20][cH:19][c:18]([I:17])[cH:23][cH:22]3)[cH:28]2)[s:6]1Participants
7
Sources & evidence
- ORD record
- ord-547dff4bed5040629e8cf52766755b10
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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