Bicarbonate Ion → 2-(2-Adamantyloxycarbonyl)amino-3-(3-indolyl)butanoic acid

HRID 142134Notes

Reaction equation

HRID 142134 reaction equation
[C:17](=[O:18])([O-:19])[OH:20].[CH3:36][OH:37].[Cl:22][C:23](=[O:24])[O:25][CH:26]1[CH:27]2[CH2:28][CH:29]3[CH2:30][CH:31]([CH2:32][CH:33]1[CH2:34]3)[CH2:35]2.[Cl:46][CH2:47][Cl:48].[NH2:1][CH:2]([C:3](=[O:4])[OH:5])[CH:6]([CH3:7])[c:8]1[cH:9][nH:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12.[Na+:21].[Na+:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[OH-:38]>>[NH:1]([CH:2]([C:3](=[O:4])[OH:5])[CH:6]([CH3:7])[c:8]1[cH:9][nH:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12)[C:23](=[O:24])[O:25][CH:26]1[CH:27]2[CH2:28][CH:29]3[CH2:30][CH:31]([CH2:32][CH:33]1[CH2:34]3)[CH2:35]2

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 2921702-Amino-3-(3-indolyl)butanoic acidHCID 108785372-adamantyl Chloroformate

Product 1

HCID 221022962-(2-Adamantyloxycarbonyl)amino-3-(3-indolyl)butanoic acid

Sources & evidence

ORD record
ord-09d6f6a16fa54860ac1874aed03c7213
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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