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Methanesulfonic Acid → N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[1-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]methyl]methanesulfonamide

HRID 2337917
Notes
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Reaction equation

HRID 2337917 reaction equation
[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:30][S:31]([OH:32])(=[O:33])=[O:34].[CH3:44][N:45]([c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1)[CH3:52].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[NH2:1][CH2:2][c:3]1[c:4]([NH:19][CH:20]([CH2:21][OH:22])[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[n:5][c:6]([NH:10][c:11]2[n:12][nH:13][c:14]([CH:16]3[CH2:17][CH2:18]3)[cH:15]2)[c:7]([F:9])[cH:8]1>>[NH:1]([CH2:2][c:3]1[c:4]([NH:19][CH:20]([CH2:21][OH:22])[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[n:5][c:6]([NH:10][c:11]2[n:12][nH:13][c:14]([CH:16]3[CH2:17][CH2:18]3)[cH:15]2)[c:7]([F:9])[cH:8]1)[S:31]([CH3:30])(=[O:32])=[O:33]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 6395Methanesulfonic AcidHCID 8028TetrahydrofuranHCID 142844-(Dimethylamino)pyridineHCID 81531DiisopropylethylamineHCID 674597032-[[3-(aminomethyl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol

Product 1

HCID 69307954
N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[1-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]methyl]methanesulfonamide

Sources & evidence

ORD record
ord-215763113f3b44efbe0c203e6eced0ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes