Bromide ion → Hydrochloric Acid

HRID 664901Notes

Reaction equation

HRID 664901 reaction equation
[Br-:56].[CH2:53]([Cl:54])[Cl:55].[CH2:57]([N+:58]([CH2:59][CH2:60][CH2:61][CH3:62])([CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH2:69][CH3:70])[CH2:71][CH2:72][CH3:73].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[CH4:32].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[NH2:14].[CH:74]([OH:75])([CH3:76])[CH3:77].[Cl:15][CH2:16][CH:17]1[CH2:18][O:19]1.[F:33][C:34]([F:35])([F:36])[c:37]1[cH:38][c:39]([OH:40])[cH:41][cH:42][cH:43]1.[Na+:45].[OH-:44].[OH2:78].[S:27]([Cl:28])([Cl:29])(=[O:30])=[O:31]>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[N:14]1[CH2:16][CH:17]([OH:19])[CH2:18]1.[ClH:15]

Participants

17

Reactant 15

HCID 259Bromide ionHCID 297MethaneHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 3776IsopropanolHCID 6344DichloromethaneHCID 7036BenzhydrylamineHCID 73763-(Trifluoromethyl)phenolHCID 7835EpichlorohydrinHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 24648Sulfuryl chloride

Product 2

HCID 313Hydrochloric AcidHCID 3304481-(Diphenylmethyl)azetidin-3-ol

Sources & evidence

ORD record
ord-3517c58327d6467fb54308d44e8af423
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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