Hydrochloric Acid → HCID 19912213, compound

HRID 88637Notes

Reaction equation

HRID 88637 reaction equation
[CH3:69][CH2:70][OH:71].[Cl:1][c:2]1[c:3]([O:4][c:5]2[cH:6][cH:7][c:8]([C:11](=[O:12])[O:13][CH3:14])[cH:9][cH:10]2)[cH:15][c:16](-[n:20]2[n:21][c:22]([CH3:29])[n:23]([CH:26]([F:27])[F:28])[c:24]2=[O:25])[c:17]([F:19])[cH:18]1.[Cl:30][c:31]1[cH:32][c:33]([F:34])[c:35](-[n:36]2[c:37](=[O:38])[n:39]([CH:40]([F:41])[F:42])[c:43]([CH3:44])[n:45]2)[cH:46][c:47]1[O:48][c:49]1[cH:50][cH:51][c:52]([C:53]([O:54][CH2:55][CH3:56])=[O:57])[cH:58][cH:59]1.[ClH:62].[Na+:61].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[OH-:60].[OH2:68]>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[cH:6][cH:7][c:8]([C:11](=[O:12])[OH:13])[cH:9][cH:10]2)[cH:15][c:16](-[n:20]2[n:21][c:22]([CH3:29])[n:23]([CH:26]([F:27])[F:28])[c:24]2=[O:25])[c:17]([F:19])[cH:18]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 19912204methyl 4-[2-chloro-4-fluoro-5-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenoxy]-phenylcarboxylateHCID 19912232ethyl 4-[2-chloro-4-fluoro-5-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenoxy]phenylcarboxylate

Product 1

HCID 19912213HCID 19912213, compound

Sources & evidence

ORD record
ord-2d36c9ada0754a0086fd22914a70a51e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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