Dimethylformamide → 4,5-Difluoro-2-(2-iodo-3-methyl-benzoylamino)-indan-2-carboxylic acid ethyl ester

HRID 158607Notes

Reaction equation

HRID 158607 reaction equation
[CH2:12]([CH3:13])[O:14][C:15](=[O:16])[C:17]1([NH2:28])[CH2:18][c:19]2[cH:20][cH:21][c:22]([F:27])[c:23]([F:26])[c:24]2[CH2:25]1.[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[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:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[I:1][c:2]1[c:3]([C:4](=[O:6])[NH:28][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:27])[c:23]([F:26])[c:24]3[CH2:25]2)[cH:7][cH:8][cH:9][c:10]1[CH3:11]

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27593652-Iodo-3-methylbenzoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59314097Ethyl 2-amino-4,5-difluoro-1,3-dihydroindene-2-carboxylate

Product 1

HCID 593141704,5-Difluoro-2-(2-iodo-3-methyl-benzoylamino)-indan-2-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-5058efb6b6b4420c882e5bd9260ea7c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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