1,2-Dichloroethane → 6-[4-methyl-1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

HRID 2328942Notes

Reaction equation

HRID 2328942 reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH3:24][C:25](=[O:26])[OH:27].[CH3:28][c:29]1[n:30][cH:31][c:32]([CH:35]=[O:36])[cH:33][n:34]1.[CH3:2][CH:3]1[CH:4]([c:8]2[nH:9][c:10](=[O:23])[c:11]3[c:12]([n:13]2)[n:14]([CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[n:15][cH:16]3)[CH2:5][NH:6][CH2:7]1.[Cl:51][CH2:52][CH2:53][Cl:54].[ClH:1].[Na+:50]>>[CH3:2][CH:3]1[CH:4]([c:8]2[nH:9][c:10](=[O:23])[c:11]3[c:12]([n:13]2)[n:14]([CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[n:15][cH:16]3)[CH2:5][N:6]([CH2:35][c:32]2[cH:31][n:30][c:29]([CH3:28])[n:34][cH:33]2)[CH2:7]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 2724942TriacetoxyborohydrideHCID 31609702-Methylpyrimidine-5-carbaldehydeHCID 1369595726-(4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

Product 1

HCID 1363442076-[4-methyl-1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

Sources & evidence

ORD record
ord-58a0ee81a30e4eb990ef92d1e8ac4dcb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…