Hydrochloric Acid → HCID 67119033, compound

HRID 145825Notes

Reaction equation

HRID 145825 reaction equation
[C:77]([OH:78])([CH3:79])([CH3:80])[CH3:81].[CH2:12]([CH:13]=[CH2:14])[O:15][c:16]1[c:17]([CH:48]=[O:49])[c:18]([CH2:19][O:20][c:21]2[cH:22][cH:23][c:24](-[c:27]3[cH:28][c:29]([F:40])[c:30]([CH2:33][C:34](=[O:35])[O:36][CH2:37][CH:38]=[CH2:39])[cH:31][cH:32]3)[cH:25][cH:26]2)[cH:41][cH:42][c:43]1[C:44]([F:45])([F:46])[F:47].[CH2:82]([Cl:83])[Cl:84].[CH2:85]1[O:86][CH2:87][CH2:88][O:89][CH2:90]1.[CH3:50][C:51]([CH3:52])=[CH:53][CH3:54].[CH3:63][C:64]([CH3:65])=[CH2:66].[Cl+:1]([O-:2])[O-:3].[ClH:62].[Na+:11].[Na+:4].[Na+:60].[Na+:61].[Na+:72].[OH2:5].[OH:73][C:74](=[O:75])[O-:76].[P:6]([O-:7])([OH:8])([OH:9])=[O:10].[S:55]([O-:56])(=[O:57])([O-:58])=[S:59].[S:67](=[O:68])(=[O:69])([OH:70])[OH:71]>>[CH2:12]([CH:13]=[CH2:14])[O:15][c:16]1[c:17]([C:48](=[O:49])[O:57][C:51]([CH3:50])([CH3:52])[CH3:53])[c:18]([CH2:19][O:20][c:21]2[cH:22][cH:23][c:24](-[c:27]3[cH:28][c:29]([F:40])[c:30]([CH2:33][C:34](=[O:35])[O:36][CH2:37][CH:38]=[CH2:39])[cH:31][cH:32]3)[cH:25][cH:26]2)[cH:41][cH:42][c:43]1[C:44]([F:45])([F:46])[F:47]

Participants

15

Reactant 14

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion5×HCID 962WaterHCID 1003DihydrogenphosphateHCID 1084Thiosulfate ionHCID 1118Sulfuric AcidHCID 6344DichloromethaneHCID 6386tert-ButanolHCID 8255IsobutyleneHCID 105532-Methyl-2-buteneHCID 312751,4-DioxaneHCID 197148ChloriteHCID 86617400HCID 86617400, compound

Product 1

HCID 67119033HCID 67119033, compound

Sources & evidence

ORD record
ord-ce5bfda562db4c72b8de3b77b08452a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…