Hydrogen Bromide → Hydrogen Bromide

HRID 2312804Notes

Reaction equation

HRID 2312804 reaction equation
[BrH:35].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:23][cH:24][c:25]([CH3:27])[cH:26]3)[N:13]([CH2:18][CH2:19][N:20]([CH3:21])[CH3:22])[C:14](=[O:17])[CH:15]2[OH:16])[cH:7][cH:8]1.[CH3:28][C:29](=[O:30])[O:31][C:32](=[O:33])[CH3:34].[cH:36]1[cH:37][cH:38][n:39][cH:40][cH:41]1>>[BrH:35].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:23][cH:24][c:25]([CH3:27])[cH:26]3)[N:13]([CH2:18][CH2:19][N:20]([CH3:21])[CH3:22])[C:14](=[O:17])[CH:15]2[O:16][C:29]([CH3:28])=[O:30])[cH:7][cH:8]1

Participants

6

Reactant 4

HCID 260Hydrogen BromideHCID 1049PyridineHCID 7918Acetic AnhydrideHCID 137546225-[2-(Dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-8-methyl-2,3-dihydro-1,5-benzothiazepin-4-one

Product 2

HCID 260Hydrogen BromideHCID 13754579HCID 13754579, compound

Sources & evidence

ORD record
ord-4ecb41b95c4241b4b96ff5880bbc7fd7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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