Water → HCID 12953048, compound
Reaction equation
[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[O:1]=[c:2]1[c:3]2[c:4]([n:5][c:6]3[n:7]1[cH:8][c:9]([C:12](=[O:13])[NH2:14])[cH:10][cH:11]3)[CH2:15][CH2:16][S:17]2.[OH2:40].[c:18]1([CH3:19])[cH:20][cH:21][c:22]([S:23]([Cl:24])(=[O:25])=[O:26])[cH:27][cH:28]1.[cH:29]1[cH:30][cH:31][n:32][cH:33][cH:34]1>>[O:1]=[c:2]1[c:3]2[c:4]([n:5][c:6]3[n:7]1[cH:8][c:9]([C:12]#[N:14])[cH:10][cH:11]3)[CH2:15][CH2:16][S:17]2Participants
6
Sources & evidence
- ORD record
- ord-990475d9b4744e96870a1f3b5dc6a9d2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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