Water → tert-butyl (+/-)-2-(2,6-difluorophenyl)-4-(1-methyl-5-(3-(trifluoromethyl)piperazin-1-yl)-1H-pyrazol-4-ylcarbamoyl)thiazol-5-ylcarbamate

HRID 1132898Notes

Reaction equation

HRID 1132898 reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[NH:25][c:26]1[c:27]([C:39](=[O:40])[OH:41])[n:28][c:29](-[c:31]2[c:32]([F:38])[cH:33][cH:34][cH:35][c:36]2[F:37])[s:30]1.[CH3:1][n:2]1[n:3][cH:4][c:5]([NH2:17])[c:6]1[N:7]1[CH2:8][CH:9]([C:13]([F:14])([F:15])[F:16])[NH:10][CH2:11][CH2:12]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:66].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[n:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:17][C:39]([c:27]2[c:26]([NH:25][C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:24])[s:30][c:29](-[c:31]3[c:32]([F:38])[cH:33][cH:34][cH:35][c:36]3[F:37])[n:28]2)=[O:40])[c:6]1[N:7]1[CH2:8][CH:9]([C:13]([F:14])([F:15])[F:16])[NH:10][CH2:11][CH2:12]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 674381985-((Tert-butoxycarbonyl)amino)-2-(2,6-difluorophenyl)thiazole-4-carboxylic acidHCID 86680081(+/-)-1-methyl-5-(3-(trifluoromethyl)piperazin-1-yl)-1H-pyrazol-4-amine

Product 1

HCID 86680082tert-butyl (+/-)-2-(2,6-difluorophenyl)-4-(1-methyl-5-(3-(trifluoromethyl)piperazin-1-yl)-1H-pyrazol-4-ylcarbamoyl)thiazol-5-ylcarbamate

Sources & evidence

ORD record
ord-874fd26313cc47719086dd1e40da1844
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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