Bromide ion → HCID 178459648, compound

HRID 679924Notes

Reaction equation

HRID 679924 reaction equation
[Br-:63].[Br-:65].[C:30]([O:31][CH:34]1[CH:35]([CH:39]([CH2:40][O:41][SiH:42]([CH3:43])[CH3:44])[C:45]([CH3:46])([CH3:47])[CH3:48])[C:36](=[O:38])[NH:37]1)(=[O:32])[CH3:33].[C:49](=[O:50])([O-:51])[OH:52].[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[N:7]1[CH:8]([CH:12]=[C:13]([C:14]([CH3:15])=[O:16])[CH3:17])[CH2:9][CH2:10][CH2:11]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[Cl:54][CH2:55][Cl:56].[F:18][C:19]([F:20])([F:21])[S:22]([O:23][Si:24]([CH3:25])([CH3:26])[CH3:27])(=[O:28])=[O:29].[Na+:53].[OH2:66].[Zn+2:64]>>[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[N:7]1[CH:8]([CH:12]=[C:13]([C:14]([CH2:15][CH:34]2[CH:35]([CH:39]([CH2:40][O:41][SiH:42]([CH3:43])[CH3:44])[C:45]([CH3:46])([CH3:47])[CH3:48])[C:36](=[O:38])[NH:37]2)=[O:16])[CH3:17])[CH2:9][CH2:10][CH2:11]1

Participants

12

Reactant 11

HCID 259Bromide ion2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 32051Zinc(2+)HCID 65367Trimethylsilyl triflateHCID 173232100[3-(1-Dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetateHCID 178459647HCID 178459647, compound

Product 1

HCID 178459648HCID 178459648, compound

Sources & evidence

ORD record
ord-e361495e529648c9ab70f39943f47913
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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