Chloride → Methyl 5-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2-fluorobenzoate
Reaction equation
[BH4-:35].[CH2:13]([CH2:14][CH2:15][CH3:16])[c:17]1[cH:18][cH:19][c:20]([C:23]#[C:24][c:25]2[cH:26][cH:27][c:28]([CH:29]=[O:30])[cH:31][cH:32]2)[cH:21][cH:22]1.[CH3:33][OH:34].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cl-:44].[NH2:1][c:2]1[cH:3][cH:4][c:5]([F:12])[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1.[Na+:36].[Na+:45].[OH2:46]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([F:12])[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1)[CH2:29][c:28]1[cH:27][cH:26][c:25]([C:24]#[C:23][c:20]2[cH:19][cH:18][c:17]([CH2:13][CH2:14][CH2:15][CH3:16])[cH:22][cH:21]2)[cH:32][cH:31]1Participants
9
Sources & evidence
- ORD record
- ord-148455a0e9df4707974e5f4bd9f57ec6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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