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

HRID 192997Notes

Reaction equation

HRID 192997 reaction equation
[CH2:12]([CH3:13])[O:14][C:15](=[O:16])[C:17]1([NH2:27])[CH2:18][c:19]2[cH:20][cH:21][c:22]([F:26])[cH:23][c:24]2[CH2:25]1.[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[I:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][c:10]1[CH3:11].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[n:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[I:1][c:2]1[c:3]([C:4](=[O:6])[NH:27][C:17]2([C:15]([O:14][CH2:12][CH3:13])=[O:16])[CH2:18][c:19]3[cH:20][cH:21][c:22]([F:26])[cH:23][c:24]3[CH2:25]2)[cH:7][cH:8][cH:9][c:10]1[CH3:11]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27593652-Iodo-3-methylbenzoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59314154Ethyl 2-amino-5-fluoro-2,3-dihydro-1H-indene-2-carboxylate

Product 1

HCID 593142075-Fluoro-2-(2-iodo-3-methyl-benzoylamino)-indan-2-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-bd64653d016f44e8b6ada6b57879b2bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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