Water → HCID 66699515, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:29])[c:6]([CH3:28])[c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH:16]([c:17]3[cH:18][c:19]([C:20]#[N:21])[cH:22][cH:23][cH:24]3)[OH:25])[cH:14][cH:15]2)[cH:26][cH:27]1.[CH2:33]([N:34]([S:35]([F:36])([F:37])[F:39])[CH2:38][CH3:40])[CH3:41].[Cl:30][CH2:31][Cl:32].[OH2:42]>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:29])[c:6]([CH3:28])[c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH:16]([c:17]3[cH:18][c:19]([C:20]#[N:21])[cH:22][cH:23][cH:24]3)[F:39])[cH:14][cH:15]2)[cH:26][cH:27]1Participants
5
Sources & evidence
- ORD record
- ord-7e037d062a854ba6bd3c5a24593e00ce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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