tert-butyl N-(4-aminobutyl)carbamate → Tert-butyl (4-(4-((4-((4-(2-bromoethoxy)benzyl)amino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)benzamido)butyl)carbamate

HRID 122353Notes

Reaction equation

HRID 122353 reaction equation
[Br:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:10][c:11]2[n:12][c:13]([NH:23][c:24]3[cH:25][cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]3)[n:14][c:15]([O:17][CH2:18][C:19]([F:20])([F:21])[F:22])[n:16]2)[cH:33][cH:34]1.[CH:72]([N:73]([CH2:74][CH3:75])[CH:76]([CH3:77])[CH3:78])([CH3:79])[CH3:80].[Cl:81][CH2:82][Cl:83].[NH2:35][CH2:36][CH2:37][CH2:38][CH2:39][NH:40][C:41]([O:42][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47].[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54].[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[n:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[Br:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:10][c:11]2[n:12][c:13]([NH:23][c:24]3[cH:25][cH:26][c:27]([C:28](=[O:29])[NH:35][CH2:36][CH2:37][CH2:38][CH2:39][NH:40][C:41]([O:42][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47])[cH:31][cH:32]3)[n:14][c:15]([O:17][CH2:18][C:19]([F:20])([F:21])[F:22])[n:16]2)[cH:33][cH:34]1

Participants

7

Reactant 6

HCID 4351tert-butyl N-(4-aminobutyl)carbamateHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 672851804-((4-((4-(2-Bromoethoxy)benzyl)amino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)benzoic acid

Product 1

HCID 68658523Tert-butyl (4-(4-((4-((4-(2-bromoethoxy)benzyl)amino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)benzamido)butyl)carbamate

Sources & evidence

ORD record
ord-dba068cfde1847968cdbd5b05587d7fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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