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

HRID 139902Notes

Reaction equation

HRID 139902 reaction equation
[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[NH:29][c:30]1[c:31]([C:43](=[O:44])[OH:45])[n:32][c:33](-[c:35]2[c:36]([F:42])[cH:37][cH:38][cH:39][c:40]2[F:41])[s:34]1.[NH2:1][c:2]1[cH:3][n:4][n:5]([CH3:21])[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:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:70].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[n:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[NH:1]([c:2]1[cH:3][n:4][n:5]([CH3:21])[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:43]([c:31]1[c:30]([NH:29][C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[s:34][c:33](-[c:35]2[c:36]([F:42])[cH:37][cH:38][cH:39][c:40]2[F:41])[n:32]1)=[O:44]

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 86680057tert-butyl (+/-)-4-(4-amino-1-methyl-1H-pyrazol-5-yl)-2-methylpiperazine-1-carboxylate

Product 1

HCID 86680059tert-butyl (+/-)-4-(4-(5-(tert-butoxycarbonylamino)-2-(2,6-difluorophenyl)thiazole-4-carboxamido)-1-methyl-1H-pyrazol-5-yl)-2-methylpiperazine-1-carboxylate

Sources & evidence

ORD record
ord-13991c1360864b7c98fc8afd14448967
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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