Sodium ion → N-(Pyrrolidin-3-yl)isoquinolin-5-amine

HRID 2143260Notes

Reaction equation

HRID 2143260 reaction equation
[C:1]([O:2][C:3]([C:4](=[O:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)([CH:12]([C:13]([OH:14])=[O:15])[OH:16])[C:17]([OH:18])=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[C:50]([O:51][CH:52]([CH3:53])[CH3:54])(=[O:55])[CH3:56].[Na+:58].[OH-:57].[cH:27]1[n:28][cH:29][cH:30][c:31]2[c:32]([NH:37][CH:38]3[CH2:39][N:40]([C:43]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:49])[CH2:41][CH2:42]3)[cH:33][cH:34][cH:35][c:36]12>>[cH:27]1[n:28][cH:29][cH:30][c:31]2[c:32]([NH:37][CH:38]3[CH2:39][NH:40][CH2:41][CH2:42]3)[cH:33][cH:34][cH:35][c:36]12

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 7915Isopropyl AcetateHCID 23079381Tert-butyl 3-(isoquinolin-5-ylamino)pyrrolidine-1-carboxylateHCID 534426812-Benzoyl-2-(benzoyloxy)-3-hydroxybutanedioic acid

Product 1

HCID 57936477N-(Pyrrolidin-3-yl)isoquinolin-5-amine

Sources & evidence

ORD record
ord-0c22cf1b8bde43ed89a3fbe415419ca9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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