Hydrogen Bromide → Hydrogen Bromide

HRID 1149547Notes

Reaction equation

HRID 1149547 reaction equation
[BrH:32].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:18][cH:19][c:20]([Cl:22])[cH:21]3)[NH:13][C:14](=[O:17])[CH:15]2[OH:16])[cH:7][cH:8]1.[CH3:24][N:25]([CH2:26][CH2:27][CH3:28])[CH2:29][CH2:30][Cl:31].[ClH:23]>>[BrH:32].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:18][cH:19][c:20]([Cl:22])[cH:21]3)[N:13]([CH2:30][CH2:29][N:25]([CH3:24])[CH2:26][CH2:27][CH3:28])[C:14](=[O:17])[CH:15]2[OH:16])[cH:7][cH:8]1

Participants

6

Reactant 4

HCID 260Hydrogen BromideHCID 313Hydrochloric AcidHCID 3031209N-Methyl-N-propyl aminoethyl-2-chlorideHCID 155934012-(4-methoxyphenyl)-3-hydroxy-8-chloro-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

Product 2

HCID 260Hydrogen BromideHCID 155934218-Chloro-3-hydroxy-2-(4-methoxyphenyl)-5-[2-[methyl(propyl)amino]ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one

Sources & evidence

ORD record
ord-c07a81a3ee2c420daf703c14360d538f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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