Bromide ion → 3-(3,4-Dichlorophenoxy)-1-(diphenylmethyl)azetidine

HRID 121275Notes

Reaction equation

HRID 121275 reaction equation
[Br-:61].[CH2:62]([N+:63]([CH2:64][CH2:65][CH2:66][CH3:67])([CH2:68][CH2:69][CH2:70][CH3:71])[CH2:72][CH2:73][CH2:74][CH3:75])[CH2:76][CH2:77][CH3:78].[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:26][S:27](=[O:28])(=[O:29])[Cl:30].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH:31]([O:32][CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cl:38][c:39]1[cH:40][c:41]([OH:46])[cH:42][cH:43][c:44]1[Cl:45].[N:49]1([OH:50])[CH2:51][CH2:52][CH2:53]1.[Na+:48].[OH-:47].[OH2:79].[c:1]1([CH:7]([N:8]2[CH2:9][CH:10]([OH:12])[CH2:11]2)[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([N:8]2[CH2:9][CH:10]([O:12][c:41]3[cH:40][c:39]([Cl:38])[c:44]([Cl:45])[cH:43][cH:42]3)[CH2:11]2)[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

13

Reactant 12

HCID 259Bromide ionHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 72583,4-DichlorophenolHCID 7914Diisopropyl EtherHCID 8471TriethylamineHCID 16028TetrabutylammoniumHCID 31297Methanesulfonyl chlorideHCID 3304481-(Diphenylmethyl)azetidin-3-olHCID 22315763HCID 22315763, compound

Product 1

HCID 150422273-(3,4-Dichlorophenoxy)-1-(diphenylmethyl)azetidine

Sources & evidence

ORD record
ord-88a65c6ca80646ef8067fbef6f45a048
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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