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Chloride → N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

HRID 2145104
Notes
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Reaction equation

HRID 2145104 reaction equation
[CH3:18][O:19][c:20]1[n:21][c:22]([O:23][CH3:24])[n:25][c:26]([N+:27]2([CH3:28])[CH2:29][CH2:30][O:31][CH2:32][CH2:33]2)[n:34]1.[CH:35]([CH3:36])([CH3:37])[S:38][c:39]1[n:40][c:41]([C:50]([F:51])([F:52])[F:53])[cH:42][cH:43][c:44]1[CH:45]=[CH:46][C:47](=[O:48])[OH:49].[Cl-:17].[ClH:15].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([F:14])[c:6]([NH:9][S:10](=[O:11])(=[O:12])[CH3:13])[cH:7][cH:8]1.[OH2:16]>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([F:14])[c:6]([NH:9][S:10](=[O:11])(=[O:12])[CH3:13])[cH:7][cH:8]1)[C:47]([CH:46]=[CH:45][c:44]1[c:39]([S:38][CH:35]([CH3:36])[CH3:37])[n:40][c:41]([C:50]([F:51])([F:52])[F:53])[cH:42][cH:43]1)=[O:48]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 962WaterHCID 27340604-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-iumHCID 21097526N-(4-(aminomethyl)-2-fluorophenyl)methanesulfonamideHCID 687816783-(2-Isopropylthio-6-trifluoromethyl-pyridin-3-yl)-acrylic acid

Product 1

HCID 68784965N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

Sources & evidence

ORD record
ord-3e0010e2c9354f3e9b0bb9d5d945099b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes