Acetic Acid → 1-[4-(6-Cyclopentyl-5,6,7,8-tetrahydropyrazolo[3,4-d]azepin-2(4H)-yl)phenyl]-2-pyrrolidinone

HRID 88364Notes

Reaction equation

HRID 88364 reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[CH3:29][C:30](=[O:31])[OH:32].[CH3:50][OH:51].[Cl:47][CH2:48][Cl:49].[Na+:46].[O:23]=[C:24]1[CH2:25][CH2:26][CH2:27][CH2:28]1.[n:1]1[n:2](-[c:11]2[cH:12][cH:13][c:14]([N:17]3[C:18](=[O:22])[CH2:19][CH2:20][CH2:21]3)[cH:15][cH:16]2)[cH:3][c:4]2[c:5]1[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]2>>[n:1]1[n:2](-[c:11]2[cH:12][cH:13][c:14]([N:17]3[C:18](=[O:22])[CH2:19][CH2:20][CH2:21]3)[cH:15][cH:16]2)[cH:3][c:4]2[c:5]1[CH2:6][CH2:7][N:8]([CH:24]1[CH2:25][CH2:26][CH2:27][CH2:28]1)[CH2:9][CH2:10]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 8452CyclopentanoneHCID 2724942TriacetoxyborohydrideHCID 66930837HCID 66930837, compound

Product 1

HCID 160488331-[4-(6-Cyclopentyl-5,6,7,8-tetrahydropyrazolo[3,4-d]azepin-2(4H)-yl)phenyl]-2-pyrrolidinone

Sources & evidence

ORD record
ord-f3d74ea0b6d54a99827dc41a6779b157
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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