Dimethylformamide → N-(2-tert-butyl-1-(2-hydroxyethyl)-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difiuorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide

HRID 2151186Notes

Reaction equation

HRID 2151186 reaction equation
[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[F:25][C:26]1([F:41])[O:27][c:28]2[c:29]([cH:31][cH:32][c:33]([C:35]3([C:38](=[O:39])[OH:40])[CH2:36][CH2:37]3)[cH:34]2)[O:30]1.[NH2:42][c:43]1[cH:44][c:45]2[c:46]([cH:47][n:48]1)[n:49]([CH2:56][CH2:57][OH:58])[c:50]([C:52]([CH3:53])([CH3:54])[CH3:55])[cH:51]2.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[F:25][C:26]1([F:41])[O:27][c:28]2[c:29]([cH:31][cH:32][c:33]([C:35]3([C:38](=[O:40])[NH:42][c:43]4[cH:44][c:45]5[c:46]([cH:47][n:48]4)[n:49]([CH2:56][CH2:57][OH:58])[c:50]([C:52]([CH3:53])([CH3:54])[CH3:55])[cH:51]5)[CH2:36][CH2:37]3)[cH:34]2)[O:30]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 442061031-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarboxylic acidHCID 579081502-(5-amino-2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-1-yl)ethanol

Product 1

HCID 25015780N-(2-tert-butyl-1-(2-hydroxyethyl)-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difiuorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide

Sources & evidence

ORD record
ord-79359808aea5403e97819e142f154e73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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