Sodium ion → 9-tert-butyl-3-methoxy-2-bromo-14-chloro-5,6,10,11,12,13-hexahydroazocino[4',3':4,5]pyrrolo[2,1-a]isoquinolin-8(9H)-one

HRID 2147739Notes

Reaction equation

HRID 2147739 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[C:6](=[O:27])[c:7]2[c:8]([cH:9][c:10]3[n:11]2[CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:21][CH3:22])[c:17]([Br:20])[cH:18][c:19]2-3)[CH2:23][CH2:24][CH2:25][CH2:26]1.[Cl:28][N:29]1[C:30](=[O:31])[CH2:32][CH2:33][C:34]1=[O:35].[Na+:37].[Na+:38].[O-:39][S:40]([O-:41])(=[S:42])=[O:43].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[C:6](=[O:27])[c:7]2[c:8]([c:9]([Cl:28])[c:10]3[n:11]2[CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:21][CH3:22])[c:17]([Br:20])[cH:18][c:19]2-3)[CH2:23][CH2:24][CH2:25][CH2:26]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 1084Thiosulfate ionHCID 6228DimethylformamideHCID 31398ChlorosuccinimideHCID 58124845HCID 58124845, compound

Product 1

HCID 581249549-tert-butyl-3-methoxy-2-bromo-14-chloro-5,6,10,11,12,13-hexahydroazocino[4',3':4,5]pyrrolo[2,1-a]isoquinolin-8(9H)-one

Sources & evidence

ORD record
ord-bd4f546aec6d4610acaddd1349e383d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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