Chloride → N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(3,4-dihydroxybutan-2-yloxy)pyrimidin-4-yl]azetidine-1-sulfonamide

HRID 148550

Reaction equation

HRID 148550 reaction equation
[Cl-:48].[Cl-:50].[Cl-:51].[Cl:39][CH2:40][Cl:41].[F:1][c:2]1[c:3]([CH2:4][S:5][c:6]2[n:7][c:8]([O:20][CH:21]([CH3:22])[CH:23]3[O:24][C:25]4([O:26][CH2:27]3)[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]4)[cH:9][c:10]([NH:12][S:13](=[O:14])(=[O:15])[N:16]3[CH2:17][CH2:18][CH2:19]3)[n:11]2)[cH:33][cH:34][cH:35][c:36]1[F:37].[Fe+3:49].[OH2:38].[OH2:42].[OH2:43].[OH2:44].[OH2:45].[OH2:46].[OH2:47]>>[F:1][c:2]1[c:3]([CH2:4][S:5][c:6]2[n:7][c:8]([O:20][CH:21]([CH3:22])[CH:23]([OH:24])[CH2:27][OH:26])[cH:9][c:10]([NH:12][S:13](=[O:14])(=[O:15])[N:16]3[CH2:17][CH2:18][CH2:19]3)[n:11]2)[cH:33][cH:34][cH:35][c:36]1[F:37]

Participants

6

Reactant 5

HCID 312Chloride3×HCID 962Water7×HCID 6344DichloromethaneHCID 29936Ferric cationHCID 178466993HCID 178466993, compound

Product 1

HCID 59558839N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(3,4-dihydroxybutan-2-yloxy)pyrimidin-4-yl]azetidine-1-sulfonamide

Sources & evidence

ORD record
ord-333ad093fd1b4106bc48bdd7375e6da4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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