Dimethylformamide → 5-chloro-thiophene-2-carboxylic acid [3-(4-chloro-2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-amide

HRID 2122949Notes

Reaction equation

HRID 2122949 reaction equation
[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][c:10]([NH2:23])[cH:11][cH:12][c:13]2[O:14][CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[n:4]([CH3:7])[n:5][cH:6]1.[Cl:24][c:25]1[cH:26][cH:27][c:28]([C:30](=[O:31])[OH:32])[s:29]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][c:10]([NH:23][C:30]([c:28]3[cH:27][cH:26][c:25]([Cl:24])[s:29]3)=[O:31])[cH:11][cH:12][c:13]2[O:14][CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[n:4]([CH3:7])[n:5][cH:6]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 950485-Chloro-2-thiophenecarboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58964255HCID 58964255, compound

Product 1

HCID 115838575-chloro-thiophene-2-carboxylic acid [3-(4-chloro-2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-amide

Sources & evidence

ORD record
ord-820346d41e4440c99d032b259513a89d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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