Acetic Acid → Gsk-189254

HRID 1226376Notes

Reaction equation

HRID 1226376 reaction equation
[C:23]1(=[O:27])[CH2:24][CH2:25][CH2:26]1.[C:28]([O:29][BH-:30]([O:31][C:32](=[O:33])[CH3:34])[O:35][C:36](=[O:37])[CH3:38])(=[O:39])[CH3:40].[CH3:1][NH:2][C:3](=[O:4])[c:5]1[cH:6][n:7][c:8]([O:11][c:12]2[cH:13][c:14]3[c:15]([cH:21][cH:22]2)[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]3)[cH:9][cH:10]1.[CH3:47][C:48](=[O:49])[OH:50].[Cl:44][CH2:45][Cl:46].[Na+:41].[Na+:43].[OH-:42]>>[CH3:1][NH:2][C:3](=[O:4])[c:5]1[cH:6][n:7][c:8]([O:11][c:12]2[cH:13][c:14]3[c:15]([cH:21][cH:22]2)[CH2:16][CH2:17][N:18]([CH:23]2[CH2:24][CH2:25][CH2:26]2)[CH2:19][CH2:20]3)[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 6344DichloromethaneHCID 14496CyclobutanoneHCID 2724942TriacetoxyborohydrideHCID 57440288N-Methyl-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yloxy)-3-pyridinecarboxamide

Product 1

HCID 9798547Gsk-189254

Sources & evidence

ORD record
ord-65b866ef51aa43a1a1a82224c7613733
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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