Propionic Acid → N-(3-(6-(4-phenoxyphenylamino)pyrimidin-4-ylamino)phenyl)propionamide

HRID 2324807Notes

Reaction equation

HRID 2324807 reaction equation
[CH3:1][CH2:2][C:3]([OH:4])=[O:5].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[NH2:30][c:31]1[cH:32][c:33]([NH:37][c:38]2[n:39][cH:40][n:41][c:42]([NH:44][c:45]3[cH:46][cH:47][c:48]([O:51][c:52]4[cH:53][cH:54][cH:55][cH:56][cH:57]4)[cH:49][cH:50]3)[cH:43]2)[cH:34][cH:35][cH:36]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[P-:6]([F:7])([F:8])([F:9])([F:10])([F:11])[F:12].[n:13]1([O:14][C:15]([N:16]([CH3:17])[CH3:18])=[N+:19]([CH3:20])[CH3:21])[c:22]2[n:23][cH:24][cH:25][cH:26][c:27]2[n:28][n:29]1>>[CH3:1][CH2:2][C:3](=[O:5])[NH:30][c:31]1[cH:32][c:33]([NH:37][c:38]2[n:39][cH:40][n:41][c:42]([NH:44][c:45]3[cH:46][cH:47][c:48]([O:51][c:52]4[cH:53][cH:54][cH:55][cH:56][cH:57]4)[cH:49][cH:50]3)[cH:43]2)[cH:34][cH:35][cH:36]1

Participants

7

Reactant 6

HCID 1032Propionic AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 577082883-[6-(4-Phenoxyphenylamino)-pyrimidin-4-ylamino]phenylamine

Product 1

HCID 57708254N-(3-(6-(4-phenoxyphenylamino)pyrimidin-4-ylamino)phenyl)propionamide

Sources & evidence

ORD record
ord-ea57fb356fc44db8ac0c2788339d3f98
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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