3-Pentanamine → [4-Benzoyloxy-2-(ethylcarbamoyl)-5-[2-iodo-6-(pentan-3-ylamino)purin-9-yl]oxolan-3-yl] benzoate

HRID 1209151

Reaction equation

HRID 1209151 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]1[CH:11]([n:29]2[c:30]3[n:31][c:32]([I:39])[n:33][c:34]([Cl:38])[c:35]3[n:36][cH:37]2)[O:12][CH:13]([C:24](=[O:25])[NH:26][CH2:27][CH3:28])[CH:14]1[O:15][C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[O:23].[CH2:40]([CH3:41])[CH:42]([CH2:43][CH3:44])[NH2:45]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]1[CH:11]([n:29]2[c:30]3[n:31][c:32]([I:39])[n:33][c:34]([NH:45][CH:42]([CH2:40][CH3:41])[CH2:43][CH3:44])[c:35]3[n:36][cH:37]2)[O:12][CH:13]([C:24](=[O:25])[NH:26][CH2:27][CH3:28])[CH:14]1[O:15][C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[O:23]

Participants

3

Reactant 2

HCID 120193-PentanamineHCID 229724694-(Benzoyloxy)-2-(6-chloro-2-iodo-9H-purin-9-yl)-5-[(ethylamino)carbonyl]-tetrahydro-3-furanyl benzoate

Product 1

HCID 22972471[4-Benzoyloxy-2-(ethylcarbamoyl)-5-[2-iodo-6-(pentan-3-ylamino)purin-9-yl]oxolan-3-yl] benzoate

Sources & evidence

ORD record
ord-3c3aeac0e4974960a24e58f9e999f8c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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