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

HRID 2157380Notes

Reaction equation

HRID 2157380 reaction equation
[C:40]([OH:41])(=[O:42])[CH3:43].[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[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:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[c:11]3[n:12][c:13]([C:18]4([OH:22])[CH2:19][NH:20][CH2:21]4)[n:14]([CH3:17])[c:15]3[n:16]1)[cH:29][cH:30][cH:31][cH:32]2.[Cl:58][CH2:59][Cl:60].[Na+:57].[O:33]1[CH2:34][CH2:35][C:36](=[O:39])[CH2:37][CH2:38]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:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[c:11]3[n:12][c:13]([C:18]4([OH:22])[CH2:19][N:20]([CH:36]5[CH2:35][CH2:34][O:33][CH2:38][CH2:37]5)[CH2:21]4)[n:14]([CH3:17])[c:15]3[n:16]1)[cH:29][cH:30][cH:31][cH:32]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 121599Tetrahydro-4H-pyran-4-oneHCID 2724942TriacetoxyborohydrideHCID 596060743-[2-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purin-8-yl]azetidine-3-ol

Product 1

HCID 596056283-(2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)-1-(tetrahydro-2H-pyran-4-yl)azetidin-3-ol

Sources & evidence

ORD record
ord-fb8f41071de84f06ad8b0477a3150237
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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