Dimethylformamide → 8-(2-Ethoxycarbonyl-indan-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

HRID 104525Notes

Reaction equation

HRID 104525 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([C:18](=[O:19])[OH:20])[cH:12][cH:13][cH:14][c:15]2[CH2:16][CH2:17]1.[CH2:21]([CH3:22])[O:23][C:24](=[O:25])[C:26]1([NH2:35])[CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[CH2:34]1.[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([C:18](=[O:19])[NH:35][C:26]3([C:24]([O:23][CH2:21][CH3:22])=[O:25])[CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][c:33]4[CH2:34]3)[cH:12][cH:13][cH:14][c:15]2[CH2:16][CH2:17]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 10921653Ethyl 2-amino-2,3-dihydro-1H-indene-2-carboxylateHCID 450740022-[(Tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid

Product 1

HCID 593142148-(2-Ethoxycarbonyl-indan-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-824be94949e846208c864095538434fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…