Sodium ion → 1-isopropyl-4-((2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperazin-2-one

HRID 1535244Notes

Reaction equation

HRID 1535244 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].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:8]1-[c:9]1[n:10][c:11]([N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[c:12]3[n:13][c:14]([CH:19]=[O:20])[n:15]([CH3:18])[c:16]3[n:17]1)[cH:27][cH:28][cH:29][cH:30]2.[CH:31]([CH3:32])([CH3:33])[N:34]1[C:35](=[O:40])[CH2:36][NH:37][CH2:38][CH2:39]1.[Na+:54]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:8]1-[c:9]1[n:10][c:11]([N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[c:12]3[n:13][c:14]([CH2:19][N:37]4[CH2:36][C:35](=[O:40])[N:34]([CH:31]([CH3:32])[CH3:33])[CH2:39][CH2:38]4)[n:15]([CH3:18])[c:16]3[n:17]1)[cH:27][cH:28][cH:29][cH:30]2

Participants

5

Reactant 4

HCID 923Sodium ionHCID 2724942TriacetoxyborohydrideHCID 150574011-(Propan-2-yl)piperazin-2-oneHCID 866482702-(2-isopropylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine-8-carbaldehyde

Product 1

HCID 596056821-isopropyl-4-((2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperazin-2-one

Sources & evidence

ORD record
ord-5a9ce867a58d496ebf244ead36f0ffc8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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