Acetic Acid → 3-benzyl-10-chloro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a][1,5]benzodiazepin-6(7H)-one

HRID 662476Notes

Reaction equation

HRID 662476 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([CH2:24][C:25](=[O:26])[O:27][CH3:28])[N:11]([c:14]2[c:15]([N+:21]([O-:22])=[O:23])[cH:16][cH:17][c:18]([Cl:20])[cH:19]2)[CH2:12][CH2:13]1.[CH3:30][C:31](=[O:32])[OH:33].[Fe:29]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]2[N:11]([CH2:12][CH2:13]1)[c:14]1[c:15]([cH:16][cH:17][c:18]([Cl:20])[cH:19]1)[NH:21][C:25](=[O:26])[CH2:24]2

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 23925IronHCID 66769543Methyl 2-(4-benzyl-1-(5-chloro-2-nitrophenyl)piperazin-2-yl)acetate

Product 1

HCID 497644193-benzyl-10-chloro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a][1,5]benzodiazepin-6(7H)-one

Sources & evidence

ORD record
ord-f58f64acc6d24f5eb1df9aef2fb20074
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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