Acetic Acid → (3-methyl-1-((9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-6-morpholino-9H-purin-8-yl)methyl)pyrrolidin-3-yl)(pyrrolidin-1-yl)methanone

HRID 1232166Notes

Reaction equation

HRID 1232166 reaction equation
[C:56]([O:57][BH-:58]([O:59][C:60](=[O:61])[CH3:62])[O:63][C:64](=[O:65])[CH3:66])(=[O:67])[CH3:68].[CH3:1][n:2]1[c:3]2[n:4][c:5](-[n:19]3[c:20]([CH3:28])[n:21][c:22]4[c:23]3[cH:24][cH:25][cH:26][cH:27]4)[n:6][c:7]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[c:8]2[n:9][c:10]1[CH:11]=[O:12].[CH3:29][C:30]1([C:35](=[O:36])[N:37]2[CH2:38][CH2:39][CH2:40][CH2:41]2)[CH2:31][NH:32][CH2:33][CH2:34]1.[CH3:42][O:43][O:44][CH:45]([O:46][O:47][CH3:48])[O:49][O:50][CH3:51].[CH3:52][C:53](=[O:54])[OH:55].[CH3:70][OH:71].[Na+:69]>>[CH3:1][n:2]1[c:3]2[n:4][c:5](-[n:19]3[c:20]([CH3:28])[n:21][c:22]4[c:23]3[cH:24][cH:25][cH:26][cH:27]4)[n:6][c:7]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[c:8]2[n:9][c:10]1[CH2:11][N:32]1[CH2:31][C:30]([CH3:29])([C:35](=[O:36])[N:37]2[CH2:38][CH2:39][CH2:40][CH2:41]2)[CH2:34][CH2:33]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 2724942TriacetoxyborohydrideHCID 21973508Trimethoxy orthoformateHCID 596054202-(2-methylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine-8-carbaldehydeHCID 63140531(3-Methylpyrrolidin-3-yl)(pyrrolidin-1-yl)methanone

Product 1

HCID 59606072(3-methyl-1-((9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-6-morpholino-9H-purin-8-yl)methyl)pyrrolidin-3-yl)(pyrrolidin-1-yl)methanone

Sources & evidence

ORD record
ord-a32e220f42c3470493db658799d92c40
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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