Ammonia → 7-(1H-Indole-3-carbonyloxy)-9-methoxycarbonylmethyl-9-aza-bicyclo[3.3.1]nonane-3-carboxylic acid methyl ester

HRID 1561880Notes

Reaction equation

HRID 1561880 reaction equation
[C:57](=[O:58])([OH:59])[O-:60].[CH3:26][O:27][C:28](=[O:29])[CH:30]1[CH2:31][CH:32]2[CH2:33][CH:34]([OH:44])[CH2:35][CH:36]([CH2:37]1)[N:38]2[CH2:39][C:40](=[O:41])[O:42][CH3:43].[CH3:46][OH:47].[CH3:65][N:66]([c:67]1[cH:68][cH:69][n:70][cH:71][cH:72]1)[CH3:73].[Cl:48][CH2:49][Cl:50].[Cl:62][CH2:63][Cl:64].[F:13][C:14]([F:15])([F:16])[C:17]([O:18][C:19](=[O:20])[C:21]([F:22])([F:23])[F:24])=[O:25].[K+:56].[Mn:51]([O-:52])(=[O:53])(=[O:54])=[O:55].[NH3:45].[Na+:61].[OH2:74].[OH:1][C:2](=[O:3])[c:4]1[cH:5][nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12>>[O:1]=[C:2]([O:3][CH:34]1[CH2:33][CH:32]2[CH2:31][CH:30]([C:28]([O:27][CH3:26])=[O:29])[CH2:37][CH:36]([CH2:35]1)[N:38]2[CH2:39][C:40](=[O:41])[O:42][CH3:43])[c:4]1[cH:5][nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12

Participants

13

Reactant 12

HCID 222AmmoniaHCID 769Bicarbonate IonHCID 813Potassium CationHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6344Dichloromethane2×HCID 9845Trifluoroacetic anhydrideHCID 142844-(Dimethylamino)pyridineHCID 24401PermanganateHCID 69867Indole-3-Carboxylic AcidHCID 578944079-Azabicyclo[3.3.1]nonane-9-aceticacid, 3-(methoxycarbonyl)-7-oxo-, methyl ester

Product 1

HCID 576937077-(1H-Indole-3-carbonyloxy)-9-methoxycarbonylmethyl-9-aza-bicyclo[3.3.1]nonane-3-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-3b433cdb8d32447288cbde6854c35351
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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