Bromide ion → HCID 178425071, compound

HRID 313823Notes

Reaction equation

HRID 313823 reaction equation
[Br-:45].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH3:46][CH2:47][CH2:48][CH2:49][N+:50]([CH2:51][CH2:52][CH2:53][CH3:54])([CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH2:61][CH3:62].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[CH:24](=[O:25])[c:26]1[n:27][c:28]([O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:29][cH:30][cH:31]1.[Cl-:1].[Cl:2][C:3](=[CH:4][CH:5]1[C:6]([CH3:11])([CH3:12])[CH:7]1[C:8](=[O:9])[OH:10])[c:13]1[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]1.[Na:20][C:21]#[N:22].[OH2:23]>>[Cl:2][C:3](=[CH:4][CH:5]1[C:6]([CH3:11])([CH3:12])[CH:7]1[C:8](=[O:9])[O:10][CH:24]([C:21]#[N:22])[c:26]1[n:27][c:28]([O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:29][cH:30][cH:31]1)[c:13]1[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]1

Participants

10

Reactant 9

HCID 259Bromide ionHCID 312ChlorideHCID 962WaterHCID 1140TolueneHCID 8058HexaneHCID 16028TetrabutylammoniumHCID 129410066-Phenoxypyridine-2-carbaldehydeHCID 54156496HCID 54156496, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 178425071HCID 178425071, compound

Sources & evidence

ORD record
ord-736c13f9ad4e4682ad3f9aaa3163cf83
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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