Acetic Acid → Benzyl 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

HRID 186721Notes

Reaction equation

HRID 186721 reaction equation
[CH3:40][C:41](=[O:42])[OH:43].[CH:44]([OH:45])([CH3:46])[CH3:47].[NH2:1][CH2:2][CH:3]1[O:4][CH:5]([n:13]2[c:14]3[n:15][cH:16][n:17][c:18]([NH2:22])[c:19]3[n:20][cH:21]2)[CH:6]2[CH:7]1[O:8][C:9]([CH3:11])([CH3:12])[O:10]2.[O:23]=[C:24]1[CH2:25][CH:26]([CH2:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH2:27]1>>[NH:1]([CH2:2][CH:3]1[O:4][CH:5]([n:13]2[c:14]3[n:15][cH:16][n:17][c:18]([NH2:22])[c:19]3[n:20][cH:21]2)[CH:6]2[CH:7]1[O:8][C:9]([CH3:11])([CH3:12])[O:10]2)[CH:24]1[CH2:25][CH:26]([CH2:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH2:27]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 3776IsopropanolHCID 141848709-[6-(Aminomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amineHCID 67774851Benzyl 3-(3-oxocyclobutyl)propanoate

Product 1

HCID 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

Sources & evidence

ORD record
ord-c3c593d483064e019747f202ac93cfcf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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