Bromide ion → Velpatasvir intermediate

HRID 1128925Notes

Reaction equation

HRID 1128925 reaction equation
[Br-:41].[Br-:42].[Br-:43].[CH3:1][O:2][CH2:3][CH:4]1[CH2:5][CH:6]([C:16](=[O:17])[O:18][CH2:19][C:20]([c:21]2[cH:22][cH:23][c:24]3[c:25]([cH:39]2)[CH2:26][O:27][c:28]2[cH:29][c:30]4[c:31]([cH:32][c:33]2-3)[CH2:34][CH2:35][CH2:36][C:37]4=[O:38])=[O:40])[N:7]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:8]1.[CH3:65][OH:66].[Cl:62][CH2:63][Cl:64].[nH+:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[nH+:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[nH+:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[CH3:1][O:2][CH2:3][CH:4]1[CH2:5][CH:6]([C:16](=[O:17])[O:18][CH2:19][C:20]([c:21]2[cH:22][cH:23][c:24]3[c:25]([cH:39]2)[CH2:26][O:27][c:28]2[cH:29][c:30]4[c:31]([cH:32][c:33]2-3)[CH2:34][CH2:35][CH:36]([Br:41])[C:37]4=[O:38])=[O:40])[N:7]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:8]1

Participants

6

Reactant 5

HCID 259Bromide ion3×HCID 887MethanolHCID 6344DichloromethaneHCID 4989215Pyridinium3×HCID 77335614(2S,4S)-1-tert-butyl 2-(2-oxo-2-(8-oxo-8,9,10,11-tetrahydro-5H-dibenzo[c,g] chromen-3-yl)ethyl) 4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate

Product 1

HCID 77690669Velpatasvir intermediate

Sources & evidence

ORD record
ord-6073fbd7adc84917804b6d4b930fd5d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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