Sodium ion → HCID 67244766, compound

HRID 317374Notes

Reaction equation

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

Participants

Reactant 6

HCID 923Sodium ion

HCID 962Water

HCID 6344Dichloromethane

HCID 80192-Methoxyethanol

HCID 166653Hydride

HCID 672421852-[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]-1-[4-(4-{5-[2-(chloromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl}-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

Product 1

HCID 67244766HCID 67244766, compound

Sources & evidence

ORD record: ord-be33bffa3b3240daa725520b865cb434
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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