Formaldehyde → Benzyl 3-[3-[[4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-methylamino]cyclobutyl]propanoate

HRID 118077Notes

Reaction equation

HRID 118077 reaction equation
[C:42]([BH3-:43])#[N:44].[CH2:39]=[O:40].[CH3:46][OH:47].[NH2:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH:11]3[O:12][CH:13]([CH2:21][NH:22][CH:23]4[CH2:24][CH:25]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[CH2:26]4)[CH:14]4[CH:15]3[O:16][C:17]([CH3:19])([CH3:20])[O:18]4)[c:7]2[n:8][cH:9][n:10]1.[Na+:45].[OH2:41]>>[NH2:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH:11]3[O:12][CH:13]([CH2:21][N:22]([CH:23]4[CH2:24][CH:25]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[CH2:26]4)[CH3:42])[CH:14]4[CH:15]3[O:16][C:17]([CH3:19])([CH3:20])[O:18]4)[c:7]2[n:8][cH:9][n:10]1

Participants

7

Reactant 6

HCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 498716Cyano-borohydrideHCID 77353095Benzyl 3-[3-[[4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]cyclobutyl]propanoate

Product 1

HCID 77352896Benzyl 3-[3-[[4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-methylamino]cyclobutyl]propanoate

Sources & evidence

ORD record
ord-b1cca7d0d2dc4247a5520455def078ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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