Hydrochloric Acid → HCID 72310126, compound

HRID 699009Notes

Reaction equation

HRID 699009 reaction equation
[CH3:41][C:42](=[CH:43][CH3:44])[CH3:45].[CH3:57][C:58]([OH:59])([CH3:60])[CH3:61].[Cl+:46]([O-:47])[O-:48].[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][c:8]([C:14]([F:15])([F:16])[F:17])[c:9]([CH:10]=[O:11])[cH:12][cH:13]2)[cH:18][cH:19][c:20]1[CH:21]([C:22]([C:23]([F:24])([F:25])[F:26])([c:27]1[cH:28][cH:29][c:30]2[c:31]([cH:38]1)[N:32]([CH3:37])[C:33](=[O:36])[CH2:34][O:35]2)[OH:39])[CH3:40].[ClH:56].[Na+:49].[Na+:55].[OH2:62].[P:50]([O-:51])([OH:52])([OH:53])=[O:54]>>[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][c:8]([C:14]([F:15])([F:16])[F:17])[c:9]([C:10](=[O:11])[OH:47])[cH:12][cH:13]2)[cH:18][cH:19][c:20]1[CH:21]([C:22]([C:23]([F:24])([F:25])[F:26])([c:27]1[cH:28][cH:29][c:30]2[c:31]([cH:38]1)[N:32]([CH3:37])[C:33](=[O:36])[CH2:34][O:35]2)[OH:39])[CH3:40]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 962WaterHCID 1003DihydrogenphosphateHCID 6386tert-ButanolHCID 105532-Methyl-2-buteneHCID 197148ChloriteHCID 86645884HCID 86645884, compound

Product 1

HCID 72310126HCID 72310126, compound

Sources & evidence

ORD record
ord-d40c4cfbba0a439e93f4e449588d8032
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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