Sodium ion → 1'-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)-3-methyl-1,3'-biazetidin-3-ol

HRID 168095

Reaction equation

HRID 168095 reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[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:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[c:11]3[n:12][c:13]([CH:18]=[O:19])[n:14]([CH3:17])[c:15]3[n:16]1)[cH:26][cH:27][cH:28][cH:29]2.[CH3:30][C:31]1([OH:39])[CH2:32][N:33]([CH:35]2[CH2:36][NH:37][CH2:38]2)[CH2:34]1.[Na+:53]>>[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:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[c:11]3[n:12][c:13]([CH2:18][N:37]4[CH2:36][CH:35]([N:33]5[CH2:32][C:31]([CH3:30])([OH:39])[CH2:34]5)[CH2:38]4)[n:14]([CH3:17])[c:15]3[n:16]1)[cH:26][cH:27][cH:28][cH:29]2

Participants

5

Reactant 4

HCID 923Sodium ionHCID 2724942TriacetoxyborohydrideHCID 552992011-(Azetidin-3-yl)-3-methylazetidin-3-olHCID 596059872-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine-8-carbaldehyde

Product 1

HCID 596058721'-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)-3-methyl-1,3'-biazetidin-3-ol

Sources & evidence

ORD record
ord-ac94c8d1709e4bae91c3755b29b5c25a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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