Sodium ion → tert-Butyl-6-(6-(2-(acetoxymethyl)-5-fluoro-3-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)phenyl)-4-methyl-3-oxo-3,4-dihydropyrazin-2-ylamino)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Reaction equation
[Br:41][c:42]1[cH:43][n:44]([CH3:67])[c:45](=[O:66])[c:46]([NH:48][c:49]2[cH:50][c:51]3[c:56]([cH:57][cH:58]2)[CH2:55][N:54]([C:59](=[O:60])[O:61][C:62]([CH3:63])([CH3:64])[CH3:65])[CH2:53][CH2:52]3)[n:47]1.[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7]([N:27]2[CH2:28][CH2:29][n:30]3[c:31]4[c:36]([cH:37][c:38]3[C:39]2=[O:40])[CH2:35][CH2:34][CH2:33][CH2:32]4)[cH:8][c:9]([F:26])[cH:10][c:11]1[N:12]1[C:13](=[O:25])[c:14]2[n:15]([c:16]3[c:21]([cH:22]2)[CH2:20][CH2:19][CH2:18][CH2:17]3)[CH2:23][CH2:24]1.[C:68](=[O:69])([O-:70])[O-:71].[CH3:74][O:75][CH2:76][CH2:77][O:78][CH3:79].[Na+:72].[Na+:73]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7](-[c:42]2[cH:43][n:44]([CH3:67])[c:45](=[O:66])[c:46]([NH:48][c:49]3[cH:50][c:51]4[c:56]([cH:57][cH:58]3)[CH2:55][N:54]([C:59](=[O:60])[O:61][C:62]([CH3:63])([CH3:64])[CH3:65])[CH2:53][CH2:52]4)[n:47]2)[cH:8][c:9]([F:26])[cH:10][c:11]1[N:12]1[C:13](=[O:25])[c:14]2[n:15]([c:16]3[c:21]([cH:22]2)[CH2:20][CH2:19][CH2:18][CH2:17]3)[CH2:23][CH2:24]1Participants
6
Reactant 5
HCID 923Sodium ion2×
HCID 80711,2-Dimethoxyethane
HCID 19660Carbonate Ion
HCID 58044031tert-Butyl 6-(6-bromo-4-methyl-3-oxo-3,4-dihydropyrazin-2-ylamino)-3,4-dihydroisoquinoline-2(1H)-carboxylate
HCID 670164654-fluoro-2-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl acetateProduct 1
Sources & evidence
- ORD record
- ord-2289e56d816548259d4935e78b4a8fa1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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