Sodium ion → Sodium ion

HRID 186421Notes

Reaction equation

HRID 186421 reaction equation
[CH3:3][C:4]([C:5]#[C:6][c:7]1[cH:8][c:9]([N:15]([C:16](=[O:17])[CH:18]2[CH2:19][CH2:20][CH:21]([CH3:24])[CH2:22][CH2:23]2)[CH:25]2[CH2:26][CH2:27][CH:28]([OH:31])[CH2:29][CH2:30]2)[c:10]([C:12](=[O:13])[OH:14])[s:11]1)([CH3:32])[CH3:33].[H-:2].[N:34]1([C:38](=[O:39])[c:40]2[cH:41][c:42]([Cl:46])[n:43][cH:44][cH:45]2)[CH2:35][CH2:36][CH2:37]1.[Na+:1].[Na+:48].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH-:47]>>[CH3:3][C:4]([C:5]#[C:6][c:7]1[cH:8][c:9]([N:15]([C:16](=[O:17])[CH:18]2[CH2:19][CH2:20][CH:21]([CH3:24])[CH2:22][CH2:23]2)[CH:25]2[CH2:26][CH2:27][CH:28]([O:31][c:42]3[cH:41][c:40]([C:38]([N:34]4[CH2:35][CH2:36][CH2:37]4)=[O:39])[cH:45][cH:44][n:43]3)[CH2:29][CH2:30]2)[c:10]([C:12](=[O:13])[O-:14])[s:11]1)([CH3:32])[CH3:33].[Na+:1]

Participants

8

Reactant 6

HCID 923Sodium ion2×HCID 961HydroxideHCID 6228DimethylformamideHCID 166653HydrideHCID 24798764VX-222HCID 58113908Azetidin-1-yl-(2-chloro-pyridin-4-yl)-methanone

Product 2

HCID 923Sodium ionHCID 581141523-[[4-[[4-(Azetidine-1-carbonyl)-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylate

Sources & evidence

ORD record
ord-e83f6cfe090d4bd1a645012c8f20a403
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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