Bromide ion → Bromide ion

HRID 1123971Notes

Reaction equation

HRID 1123971 reaction equation
[Br-:5].[C:1]([CH3:2])(=[O:3])[Br:4].[CH3:44][OH:45].[CH3:46][C:47]#[N:48].[Cl:41][CH2:42][Cl:43].[Cl:50][CH2:51][Cl:52].[OH2:49].[OH:6][c:7]1[cH:8][cH:9][c:10]([C:13]([CH2:14][N+:15]23[CH2:16][CH:17]([O:23][C:24]([CH:25]([NH:26][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)=[O:39])[CH:18]([CH2:19][CH2:20]2)[CH2:21][CH2:22]3)=[O:40])[cH:11][cH:12]1>>[Br-:4].[C:1]([CH3:2])(=[O:3])[O:6][c:7]1[cH:8][cH:9][c:10]([C:13]([CH2:14][N+:15]23[CH2:16][CH:17]([O:23][C:24]([CH:25]([NH:26][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)=[O:39])[CH:18]([CH2:19][CH2:20]2)[CH2:21][CH2:22]3)=[O:40])[cH:11][cH:12]1

Participants

9

Reactant 7

HCID 259Bromide ionHCID 887MethanolHCID 962WaterHCID 6342AcetonitrileHCID 6344Dichloromethane2×HCID 10482Acetyl bromideHCID 76828745[1-[2-(4-Hydroxyphenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-anilino-2-phenylacetate

Product 2

HCID 259Bromide ionHCID 76828757[1-[2-(4-Acetyloxyphenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-anilino-2-phenylacetate

Sources & evidence

ORD record
ord-fa6c0b83ac3c40a686cec2751bc1c769
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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