Hydrogen Bromide → {2-[6-(2-Ethyl-5-fluoro-4-hydroxy-phenyl)-1H-indazol-3-yl]-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepin-6-yl}-(4-fluoro-phenyl)-methanone

HRID 1142500Notes

Reaction equation

HRID 1142500 reaction equation
[BrH:11].[BrH:12].[BrH:13].[CH2:14]([CH3:15])[c:16]1[c:17](-[c:24]2[cH:25][cH:26][c:27]3[c:28](-[c:33]4[n:34][c:35]5[c:36]([nH:42]4)[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]5)[n:29][nH:30][c:31]3[cH:32]2)[cH:18][c:19]([F:23])[c:20]([OH:22])[cH:21]1.[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:8])[N:39]2[CH2:38][CH2:37][c:36]3[c:35]([n:34][c:33](-[c:28]4[c:27]5[cH:26][cH:25][c:24](-[c:17]6[c:16]([CH2:14][CH3:15])[cH:21][c:20]([OH:22])[c:19]([F:23])[cH:18]6)[cH:32][c:31]5[nH:30][n:29]4)[nH:42]3)[CH2:41][CH2:40]2)[cH:9][cH:10]1

Participants

4

Reactant 3

HCID 260Hydrogen Bromide3×HCID 99734-Fluorobenzoic AcidHCID 1363339635-ethyl-2-fluoro-4-[3-(1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepin-2-yl)-1H-indazol-6-yl]phenol

Product 1

HCID 136263949{2-[6-(2-Ethyl-5-fluoro-4-hydroxy-phenyl)-1H-indazol-3-yl]-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepin-6-yl}-(4-fluoro-phenyl)-methanone

Sources & evidence

ORD record
ord-8a86e0f3fa6e41c884eccff03b8b03e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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