Hydrogen Bromide → N-(2-fluorobenzyl)-2-[1-neopentyl-2-oxo-4-(pyridin-4-ylmethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide

HRID 174641

Reaction equation

HRID 174641 reaction equation
[Br:39][CH2:40][c:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1.[BrH:38].[C:47](=[O:48])([O-:49])[O-:50].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[F:1][c:2]1[c:3]([CH2:4][NH:5][C:6]([CH2:7][CH:8]2[C:9](=[O:32])[N:10]([CH2:27][C:28]([CH3:29])([CH3:30])[CH3:31])[c:11]3[c:12]([cH:23][cH:24][cH:25][cH:26]3)[CH2:13][N:14]2[C:15]([c:16]2[cH:17][cH:18][n:19][cH:20][cH:21]2)=[O:22])=[O:33])[cH:34][cH:35][cH:36][cH:37]1.[K+:51].[K+:52]>>[F:1][c:2]1[c:3]([CH2:4][NH:5][C:6]([CH2:7][CH:8]2[C:9](=[O:32])[N:10]([CH2:27][C:28]([CH3:29])([CH3:30])[CH3:31])[c:11]3[c:12]([cH:23][cH:24][cH:25][cH:26]3)[CH2:13][N:14]2[CH2:15][c:16]2[cH:17][cH:18][n:19][cH:20][cH:21]2)=[O:33])[cH:34][cH:35][cH:36][cH:37]1

Participants

8

Reactant 7

HCID 260Hydrogen BromideHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 6427994-(Bromomethyl)pyridineHCID 23089896N-(2-fluorobenzyl)-2-(4-isonicotinoyl-1-neopentyl-2-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide

Product 1

HCID 67178144N-(2-fluorobenzyl)-2-[1-neopentyl-2-oxo-4-(pyridin-4-ylmethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide

Sources & evidence

ORD record
ord-3f6021e8de0b462c8da1372a873b85cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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