Calcium Cation → 1h-Indazole-1-carboxylic acid,5-(aminomethyl)-3-(3-fluorophenyl)-,1,1-dimethylethyl ester

HRID 666158

Reaction equation

HRID 666158 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[C:42](=[O:43])([O-:44])[O-:45].[CH3:28][CH2:29][OH:30].[Ca+2:40].[N:1](=[N+:2]=[N-:3])[CH2:4][c:5]1[cH:6][c:7]2[c:8](-[c:21]3[cH:22][c:23]([F:27])[cH:24][cH:25][cH:26]3)[n:9][n:10]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[c:11]2[cH:12][cH:13]1.[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[Pd+2:41]>>[NH2:1][CH2:4][c:5]1[cH:6][c:7]2[c:8](-[c:21]3[cH:22][c:23]([F:27])[cH:24][cH:25][cH:26]3)[n:9][n:10]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[c:11]2[cH:12][cH:13]1

Participants

7

Reactant 6

HCID 271Calcium CationHCID 702EthanolHCID 8028TetrahydrofuranHCID 19660Carbonate Ion2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 222608731h-Indazole-1-carboxylic acid,5-(azidomethyl)-3-(3-fluorophenyl)-,1,1-dimethylethyl ester

Product 1

HCID 222606941h-Indazole-1-carboxylic acid,5-(aminomethyl)-3-(3-fluorophenyl)-,1,1-dimethylethyl ester

Sources & evidence

ORD record
ord-292bd12aeec7443bb89de95c803f1dfd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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