Acetic Acid → Methyl 2-(4-fluorophenyl)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methylamino]cyclopentane-1-carboxylate

HRID 684655Notes

Reaction equation

HRID 684655 reaction equation
[C:33]([BH3-:34])#[N:35].[CH3:18][O:19][c:20]1[c:21]([CH:22]=[O:23])[cH:24][c:25](-[n:28]2[n:29][n:30][n:31][cH:32]2)[cH:26][cH:27]1.[CH3:39][OH:40].[CH3:42][C:43](=[O:44])[OH:45].[NH2:1][CH:2]1[CH:3]([c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[CH:4]([C:7](=[O:8])[O:9][CH3:10])[CH2:5][CH2:6]1.[Na+:36].[Na+:38].[OH-:37].[OH2:41]>>[NH:1]([CH:2]1[CH:3]([c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[CH:4]([C:7](=[O:8])[O:9][CH3:10])[CH2:5][CH2:6]1)[CH2:22][c:21]1[c:20]([O:19][CH3:18])[cH:27][cH:26][c:25](-[n:28]2[n:29][n:30][n:31][cH:32]2)[cH:24]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 498716Cyano-borohydrideHCID 105361692-Methoxy-5-tetrazol-1-yl-benzaldehydeHCID 18922371Methyl 3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxylate

Product 1

HCID 44213948Methyl 2-(4-fluorophenyl)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methylamino]cyclopentane-1-carboxylate

Sources & evidence

ORD record
ord-2d4a524eef8c4616bd24972edd81c640
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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