1-Butanol → HCID 67443626, compound
Reaction equation
[CH2:43]([OH:44])[CH2:45][CH2:46][CH3:47].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[CH:48]([Cl:49])([Cl:50])[Cl:51].[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([CH3:12])[cH:11]1.[ClH:13].[NH2:14][CH:15]1[CH2:16][N:17]([C:20]([CH2:21][c:22]2[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]2)=[O:33])[CH2:18][CH2:19]1.[Na+:52].[OH:53][C:54](=[O:55])[O-:56]>>[c:2]1([NH:14][CH:15]2[CH2:16][N:17]([C:20]([CH2:21][c:22]3[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]3)=[O:33])[CH2:18][CH2:19]2)[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([CH3:12])[cH:11]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-cdcb49cc0b6b467d81a1d907388df671
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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