Hydrochloric Acid → Methyl 2-{[(4-bromophenyl)methyl]amino}acetate

HRID 170873Notes

Reaction equation

HRID 170873 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][Br:7])[cH:8][cH:9]1.[C:17](=[O:18])([O-:19])[O-:20].[CH2:28]([N+:29]([CH2:30][CH2:31][CH2:32][CH3:33])([CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH3:44].[CH2:45]([N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH3:61].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:11][O:12][C:13]([CH2:14][NH2:15])=[O:16].[ClH:10].[K+:21].[K+:22].[OH2:67].[S:23]([O-:24])([O-:25])(=[O:26])=[O:27]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:15][CH2:14][C:13]([O:12][CH3:11])=[O:16])[cH:8][cH:9]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 1117Sulfate IonHCID 8028TetrahydrofuranHCID 16028Tetrabutylammonium2×HCID 19660Carbonate IonHCID 685274-Bromobenzyl bromideHCID 69221Glycine methyl ester

Product 1

HCID 28431396Methyl 2-{[(4-bromophenyl)methyl]amino}acetate

Sources & evidence

ORD record
ord-9d2cb7068e6544ed97bd6fc35e827d96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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