Acetonitrile → HCID 178498137, compound

HRID 119044Notes

Reaction equation

HRID 119044 reaction equation
[CH3:42][C:43]#[N:44].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:18][c:19]1[c:20]([C:21]([OH:22])=[O:23])[cH:24][c:25](-[n:28]2[n:29][n:30][n:31][cH:32]2)[cH:26][cH:27]1.[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>>[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)[CH2:21][c:20]1[c:19]([Cl:18])[cH:27][cH:26][c:25](-[n:28]2[n:29][n:30][n:31][cH:32]2)[cH:24]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 11299372-chloro-5-(1H-tetrazol-1-yl)benzoic acidHCID 18922371Methyl 3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxylate

Product 1

HCID 178498137HCID 178498137, compound

Sources & evidence

ORD record
ord-0e273bd8d66d40b195d370a0b35c114d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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