Dimethylformamide → 5-Fluoro-2-(2-isopropoxy-3-methyl-benzoylamino)-indan-2-carboxylic acid ethyl ester

HRID 2143497Notes

Reaction equation

HRID 2143497 reaction equation
[CH2:15]([CH3:16])[O:17][C:18](=[O:19])[C:20]1([NH2:30])[CH2:21][c:22]2[cH:23][cH:24][c:25]([F:29])[cH:26][c:27]2[CH2:28]1.[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11][cH:12][c:13]1[CH3:14].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([C:7](=[O:9])[NH:30][C:20]2([C:18]([O:17][CH2:15][CH3:16])=[O:19])[CH2:21][c:22]3[cH:23][cH:24][c:25]([F:29])[cH:26][c:27]3[CH2:28]2)[cH:10][cH:11][cH:12][c:13]1[CH3:14]

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 593140882-Isopropoxy-3-methyl-benzoic acidHCID 59314154Ethyl 2-amino-5-fluoro-2,3-dihydro-1H-indene-2-carboxylate

Product 1

HCID 593144025-Fluoro-2-(2-isopropoxy-3-methyl-benzoylamino)-indan-2-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-54c4937c3927441ba9f21b960b7222ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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