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}-isothiazol-3-yl-methanone

HRID 1559777Notes

Reaction equation

HRID 1559777 reaction equation
[BrH:10].[BrH:11].[BrH:9].[CH2:12]([CH3:13])[c:14]1[c:15](-[c:22]2[cH:23][cH:24][c:25]3[c:26](-[c:31]4[n:32][c:33]5[c:34]([nH:40]4)[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]5)[n:27][nH:28][c:29]3[cH:30]2)[cH:16][c:17]([F:21])[c:18]([OH:20])[cH:19]1.[s:1]1[n:2][c:3]([C:6](=[O:7])[OH:8])[cH:4][cH:5]1>>[s:1]1[n:2][c:3]([C:6](=[O:8])[N:37]2[CH2:36][CH2:35][c:34]3[c:33]([n:32][c:31](-[c:26]4[c:25]5[cH:24][cH:23][c:22](-[c:15]6[c:14]([CH2:12][CH3:13])[cH:19][c:18]([OH:20])[c:17]([F:21])[cH:16]6)[cH:30][c:29]5[nH:28][n:27]4)[nH:40]3)[CH2:39][CH2:38]2)[cH:4][cH:5]1

Participants

4

Reactant 3

HCID 260Hydrogen Bromide3×HCID 5592241,2-Thiazole-3-carboxylic 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 136263957{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}-isothiazol-3-yl-methanone

Sources & evidence

ORD record
ord-52adfb6d280c4c628f84cebfedf0b34e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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