Sodium ion → HCID 44160016, compound

HRID 1562212Notes

Reaction equation

HRID 1562212 reaction equation
[Al+3:39].[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[H-:38].[H-:41].[H-:42].[H-:43].[Li+:40].[NH2:1][c:2]1[c:3](-[c:21]2[n:22][cH:23][c:24]3[c:25]([F:32])[cH:26][cH:27][c:28]([Cl:31])[c:29]3[cH:30]2)[cH:4][c:5](-[c:8]2[cH:9][n:10][n:11]([CH:13]3[CH2:14][CH2:15][N:16]([CH:19]=[O:20])[CH2:17][CH2:18]3)[cH:12]2)[cH:6][n:7]1.[Na+:59].[Na+:60].[OH2:44].[OH2:45].[OH2:46].[OH2:47].[OH2:48].[OH2:49].[OH2:50].[OH2:51].[OH2:52].[OH2:53].[S:54]([O-:55])([O-:56])(=[O:57])=[O:58]>>[NH2:1][c:2]1[c:3](-[c:21]2[n:22][cH:23][c:24]3[c:25]([F:32])[cH:26][cH:27][c:28]([Cl:31])[c:29]3[cH:30]2)[cH:4][c:5](-[c:8]2[cH:9][n:10][n:11]([CH:13]3[CH2:14][CH2:15][N:16]([CH3:19])[CH2:17][CH2:18]3)[cH:12]2)[cH:6][n:7]1

Participants

10

Reactant 9

HCID 923Sodium ion2×HCID 962Water10×HCID 1117Sulfate IonHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 866331564-{4-[6-Amino-5-(5-chloro-8-fluoroisoquinolin-3-yl)-pyridin-3-yl]-pyrazol-1-yl}-piperidine-1-carbaldehyde

Product 1

HCID 44160016HCID 44160016, compound

Sources & evidence

ORD record
ord-8957e64092c94deab6a61e1bb1388fe4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…