Hydrochloric Acid → HCID 59198485, compound
Reaction equation
[CH3:21][O:22][c:23]1[cH:24][cH:25][c:26]([CH2:27][NH2:28])[cH:29][cH:30]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([C:19]#[N:20])[c:6]2[c:7]1[c:8]1[c:9]([s:10]2)[cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]1.[ClH:37].[K+:31].[K+:32].[K+:43].[K+:44].[O-:33][C:34]([O-:35])=[O:36].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:50].[P:38]([O-:39])([O-:40])([OH:41])=[O:42]>>[c:2]1([NH:28][CH2:27][c:26]2[cH:25][cH:24][c:23]([O:22][CH3:21])[cH:30][cH:29]2)[n:3][cH:4][c:5]([C:19]#[N:20])[c:6]2[c:7]1[c:8]1[c:9]([s:10]2)[cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]1Participants
9
Sources & evidence
- ORD record
- ord-7c122d3aa6634c9e83c692a2c6ab6c1f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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