Dimethylformamide → 1-cyclopropyl-3-(2-fluoro-4-iodo-phenylamino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-amide

HRID 167934Notes

Reaction equation

HRID 167934 reaction equation
[CH3:25][C:26]1([CH3:34])[O:27][CH2:28][CH:29]([CH2:31][O:32][NH2:33])[O:30]1.[CH3:42][N+:43]([CH3:44])=[C:45]([N:46]([CH3:47])[CH3:48])[O:49][n:50]1[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1.[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[CH:1]1([n:4]2[c:5]([C:22](=[O:23])[OH:24])[c:6]([NH:13][c:14]3[c:15]([F:21])[cH:16][c:17]([I:20])[cH:18][cH:19]3)[c:7]3[cH:8][n:9][cH:10][cH:11][c:12]23)[CH2:2][CH2:3]1.[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41]>>[CH:1]1([n:4]2[c:5]([C:22](=[O:23])[NH:33][O:32][CH2:31][CH:29]3[CH2:28][O:27][C:26]([CH3:25])([CH3:34])[O:30]3)[c:6]([NH:13][c:14]3[c:15]([F:21])[cH:16][c:17]([I:20])[cH:18][cH:19]3)[c:7]3[cH:8][n:9][cH:10][cH:11][c:12]23)[CH2:2][CH2:3]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 10240948O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hydroxylamineHCID 595964661-Cyclopropyl-3-(2-fluoro-4-iodo-phenylamino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

Product 1

HCID 595965981-cyclopropyl-3-(2-fluoro-4-iodo-phenylamino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-amide

Sources & evidence

ORD record
ord-9781b19d9eea43e49d41a1959377d7a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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