1,2-Dichloroethane → 1-Cyclohexyl-5-{2-methoxy-4-[(4-methyl-1-piperazinyl)methyl]phenyl}-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

HRID 1132937Notes

Reaction equation

HRID 1132937 reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[C:49](=[O:50])([O-:51])[OH:52].[CH3:28][N:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[CH3:54][C:55](=[O:56])[OH:57].[CH:1]1([n:7]2[n:8][c:9]([CH3:27])[c:10]3[n:11][c:12](-[c:17]4[c:18]([O:25][CH3:26])[cH:19][c:20]([CH:21]=[O:22])[cH:23][cH:24]4)[nH:13][c:14](=[O:16])[c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:58][CH2:59][CH2:60][Cl:61].[Na+:48].[Na+:53]>>[CH:1]1([n:7]2[n:8][c:9]([CH3:27])[c:10]3[n:11][c:12](-[c:17]4[c:18]([O:25][CH3:26])[cH:19][c:20]([CH2:21][N:32]5[CH2:31][CH2:30][N:29]([CH3:28])[CH2:34][CH2:33]5)[cH:23][cH:24]4)[nH:13][c:14](=[O:16])[c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 531671-MethylpiperazineHCID 2724942TriacetoxyborohydrideHCID 136005822HCID 136005822, compound

Product 1

HCID 1360058811-Cyclohexyl-5-{2-methoxy-4-[(4-methyl-1-piperazinyl)methyl]phenyl}-3-methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

Sources & evidence

ORD record
ord-f8097a89eb9e4671b914d5716827dc43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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