Chloride → HCID 178521970, compound

HRID 1550489Notes

Reaction equation

HRID 1550489 reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[Cl-:33].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([O:21][CH2:22][C:23]([F:24])([F:25])[F:26])[n:10][c:11]([C:17]([F:18])([F:19])[F:20])[c:12]([C:13](=[O:14])[OH:15])[cH:16]2)[cH:6][cH:7]1.[Cl:27][C:28]([C:29]([Cl:30])=[O:31])=[O:32].[Na+:43].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH-:42].[OH2:54].[OH:34][CH:35]1[CH:36]([NH3+:41])[CH2:37][CH2:38][CH2:39][CH2:40]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([O:21][CH2:22][C:23]([F:24])([F:25])[F:26])[n:10][c:11]([C:17]([F:18])([F:19])[F:20])[c:12]([C:13](=[O:14])[NH:41][CH:36]3[CH:35]([OH:34])[CH2:40][CH2:39][CH2:38][CH2:37]3)[cH:16]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 65578Oxalyl chlorideHCID 214187362-Amino-1-cyclohexanolHCID 866348055-(4-Chloro-phenyl)-6-(2,2,2-trifluoro-ethoxy)-2-trifluoromethyl-nicotinic acid

Product 1

HCID 178521970HCID 178521970, compound

Sources & evidence

ORD record
ord-34172f70969744928a6d4ee7739fc916
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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