Methanol → 2-hydroxy-1-(3-((2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)azetidin-1-yl)-2-methylpropan-1-one

HRID 2333587Notes

Reaction equation

HRID 2333587 reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:1][C:2]([C:3](=[O:4])[N:5]1[CH2:6][CH:7]([CH2:9][c:10]2[n:11]([CH3:37])[c:12]3[n:13][c:14](-[n:25]4[c:26]([CH:34]([CH3:35])[CH3:36])[n:27][c:28]5[c:29]4[cH:30][cH:31][cH:32][cH:33]5)[n:15][c:16]([N:19]4[CH2:20][CH2:21][O:22][CH2:23][CH2:24]4)[c:17]3[n:18]2)[CH2:8]1)([CH3:38])[O:39][C:40](=[O:41])[CH3:42].[CH3:50][OH:51].[Li+:44].[OH-:43]>>[CH3:1][C:2]([C:3](=[O:4])[N:5]1[CH2:6][CH:7]([CH2:9][c:10]2[n:11]([CH3:37])[c:12]3[n:13][c:14](-[n:25]4[c:26]([CH:34]([CH3:35])[CH3:36])[n:27][c:28]5[c:29]4[cH:30][cH:31][cH:32][cH:33]5)[n:15][c:16]([N:19]4[CH2:20][CH2:21][O:22][CH2:23][CH2:24]4)[c:17]3[n:18]2)[CH2:8]1)([CH3:38])[OH:39]

Participants

6

Reactant 5

HCID 887MethanolHCID 961HydroxideHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 59605906acetic acid 1,1-dimethyl-2-{3-[9-methyl-2-(2-isopropylbenzoimidazol-1-yl)-6-morpholin-4-yl-9H-purin-8-ylmethyl]azetidin-1-yl}-2-oxoethyl ester

Product 1

HCID 596061592-hydroxy-1-(3-((2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)azetidin-1-yl)-2-methylpropan-1-one

Sources & evidence

ORD record
ord-a955de0a4b634f25908e28aa4155fe10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…