Acetic Acid → Methyl 2-[4-[[3-[2-amino-4-(1-hydroxyheptan-3-ylamino)-6-methylpyrimidin-5-yl]propylamino]methyl]phenyl]acetate

HRID 197373Notes

Reaction equation

HRID 197373 reaction equation
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:22][O:23][C:24]([CH2:25][c:26]1[cH:27][cH:28][c:29]([CH:32]=[O:33])[cH:30][cH:31]1)=[O:34].[CH3:35][C:36](=[O:37])[OH:38].[NH2:1][c:2]1[n:3][c:4]([CH3:21])[c:5]([CH2:17][CH2:18][CH2:19][NH2:20])[c:6]([NH:8][CH:9]([CH2:10][CH2:11][OH:12])[CH2:13][CH2:14][CH2:15][CH3:16])[n:7]1.[Na+:52]>>[NH2:1][c:2]1[n:3][c:4]([CH3:21])[c:5]([CH2:17][CH2:18][CH2:19][NH:20][CH2:32][c:29]2[cH:28][cH:27][c:26]([CH2:25][C:24]([O:23][CH3:22])=[O:34])[cH:31][cH:30]2)[c:6]([NH:8][CH:9]([CH2:10][CH2:11][OH:12])[CH2:13][CH2:14][CH2:15][CH3:16])[n:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 19363032Methyl 2-(4-formylphenyl)acetateHCID 689536193-[[2-Amino-5-(3-aminopropyl)-6-methylpyrimidin-4-yl]amino]heptan-1-ol

Product 1

HCID 74821063Methyl 2-[4-[[3-[2-amino-4-(1-hydroxyheptan-3-ylamino)-6-methylpyrimidin-5-yl]propylamino]methyl]phenyl]acetate

Sources & evidence

ORD record
ord-a62e879aa8d94fb0a183c53cc73f3485
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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