Water → tert-butyl (+/-)-4-(4-(5-(tert-butoxycarbonylamino)-2-(2,6-difluorophenyl)thiazole-4-carboxamido)-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)-2-methylpiperazine-1-carboxylate

HRID 142150Notes

Reaction equation

HRID 142150 reaction equation
[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[NH:33][c:34]1[c:35]([C:47](=[O:48])[OH:49])[n:36][c:37](-[c:39]2[c:40]([F:46])[cH:41][cH:42][cH:43][c:44]2[F:45])[s:38]1.[NH2:1][c:2]1[cH:3][n:4][n:5]([CH2:21][C:22]([F:23])([F:24])[F:25])[c:6]1[N:7]1[CH2:8][CH:9]([CH3:20])[N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]1.[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH2:74].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[NH:1]([c:2]1[cH:3][n:4][n:5]([CH2:21][C:22]([F:23])([F:24])[F:25])[c:6]1[N:7]1[CH2:8][CH:9]([CH3:20])[N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]1)[C:47]([c:35]1[c:34]([NH:33][C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[s:38][c:37](-[c:39]2[c:40]([F:46])[cH:41][cH:42][cH:43][c:44]2[F:45])[n:36]1)=[O:48]

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 86680104tert-butyl (+/-)-4-(4-amino-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)-2-methylpiperazine-1-carboxylate

Product 1

HCID 86680105tert-butyl (+/-)-4-(4-(5-(tert-butoxycarbonylamino)-2-(2,6-difluorophenyl)thiazole-4-carboxamido)-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)-2-methylpiperazine-1-carboxylate

Sources & evidence

ORD record
ord-9d2a426e71d24756ac968ebcd59b9ef5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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