Bromide ion → HCID 66731516, compound

HRID 135120Notes

Reaction equation

HRID 135120 reaction equation
[Br-:24].[C:36]([O:37][CH3:38])([CH3:39])([CH3:40])[CH3:41].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:32][C:33]#[N:34].[Cl:1][c:2]1[cH:3][c:4]([CH:9]2[N:10]([C:19](=[O:20])[O:21][CH3:22])[CH2:11][CH2:12][CH:13]([C:15](=[O:16])[O:17][CH3:18])[CH2:14]2)[cH:5][c:6]([Cl:8])[cH:7]1.[Li+:23].[OH2:35]>>[Cl:1][c:2]1[cH:3][c:4]([CH:9]2[N:10]([C:19](=[O:20])[O:21][CH3:22])[CH2:11][CH2:12][CH:13]([C:15](=[O:16])[OH:17])[CH2:14]2)[cH:5][c:6]([Cl:8])[cH:7]1

Participants

8

Reactant 7

HCID 259Bromide ionHCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 15413tert-Butyl methyl etherHCID 28486Lithium ionHCID 68503986HCID 68503986, compound

Product 1

HCID 66731516HCID 66731516, compound

Sources & evidence

ORD record
ord-4cef93ab3dca44faade7780aea9f91f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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