Bromide ion → Bromide ion

HRID 107147Notes

Reaction equation

HRID 107147 reaction equation
[Br-:2].[BrH:1].[C:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)(=[O:45])[Br:46].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[Cl:47][CH2:48][Cl:49].[NH2:3][CH2:4][CH2:5][N+:6]12[CH2:7][CH:8]([O:14][C:15]([C:16]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[OH:29])=[O:30])[CH:9]([CH2:10][CH2:11]1)[CH2:12][CH2:13]2>>[Br-:46].[NH:3]([CH2:4][CH2:5][N+:6]12[CH2:7][CH:8]([O:14][C:15]([C:16]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[OH:29])=[O:30])[CH:9]([CH2:10][CH2:11]1)[CH2:12][CH2:13]2)[C:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)=[O:45]

Participants

8

Reactant 6

HCID 259Bromide ionHCID 260Hydrogen BromideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 12056Benzoyl bromideHCID 178511312[1-(2-aminoethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate

Product 2

HCID 259Bromide ionHCID 11443103[1-(2-Benzamidoethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate

Sources & evidence

ORD record
ord-3408dbc5cbd949f085eec13659e720f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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