Acetic Acid → 4-(2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-8-(3-methoxy-1-(tetrahydro-2H-pyran-4-yl)azetidin-3-yl)-9-methyl-9H-purin-6-yl)morpholine

HRID 1113709Notes

Reaction equation

HRID 1113709 reaction equation
[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[C:55]([OH:56])(=[O:57])[CH3:58].[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:24]3[CH2:25][CH2:26][O:27][CH2:28][CH2:29]3)[c:11]3[n:12][c:13]([C:18]4([O:22][CH3:23])[CH2:19][NH:20][CH2:21]4)[n:14]([CH3:17])[c:15]3[n:16]1)[cH:30][cH:31][cH:32][cH:33]2.[Na+:54].[O:34]1[CH2:35][CH2:36][C:37](=[O:40])[CH2:38][CH2:39]1>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:24]3[CH2:25][CH2:26][O:27][CH2:28][CH2:29]3)[c:11]3[n:12][c:13]([C:18]4([O:22][CH3:23])[CH2:19][N:20]([CH:37]5[CH2:36][CH2:35][O:34][CH2:39][CH2:38]5)[CH2:21]4)[n:14]([CH3:17])[c:15]3[n:16]1)[cH:30][cH:31][cH:32][cH:33]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 121599Tetrahydro-4H-pyran-4-oneHCID 2724942TriacetoxyborohydrideHCID 596058342-(2-Ethylbenzoimidazol-1-yl)-8-(3-methoxyazetidin-3-yl)-9-methyl-6-morpholin-4-yl-9H-purine

Product 1

HCID 596054784-(2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-8-(3-methoxy-1-(tetrahydro-2H-pyran-4-yl)azetidin-3-yl)-9-methyl-9H-purin-6-yl)morpholine

Sources & evidence

ORD record
ord-d559b79681074a04ae13e97e5357a16a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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