Bromide ion → HCID 14883924, compound

HRID 673371Notes

Reaction equation

HRID 673371 reaction equation
[Br-:32].[Br:19][c:20]1[cH:21][cH:22][c:23]([S:26][CH2:27][CH2:28][CH:29]=[O:30])[cH:24][cH:25]1.[C:12]([O-:13])(=[O:14])[CH2:15][CH2:16][CH3:17].[C:1]([CH2:2][C:3](=[O:4])[CH3:5])([O:6][CH3:7])=[O:8].[CH3:33][CH2:34][CH2:35][CH2:36][N+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[ClH:11].[Na+:10].[Na+:18].[OH-:9].[OH2:31]>>[CH2:2]([C:3](=[O:4])[CH3:5])[CH:29]([CH2:28][CH2:27][S:26][c:23]1[cH:22][cH:21][c:20]([Br:19])[cH:25][cH:24]1)[OH:30]

Participants

11

Reactant 10

HCID 259Bromide ionHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 7757Methyl acetoacetateHCID 16028TetrabutylammoniumHCID 104775ButyrateHCID 19902758HCID 19902758, compound

Product 1

HCID 14883924HCID 14883924, compound

Sources & evidence

ORD record
ord-341d7481898f4776b353bb2a1b6424de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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